Indolecarboxylic acids and derivatives

Description:

Compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Indoles and derivatives ⮕ Indolecarboxylic acids and derivatives

5,7-Difluoro-1H-indole-2-carboxylic acid
- ≥97%
Cas Number: 186432-20-2 Compound CID: 16789245

Formula: C₉H₅F₂NO₂ Molecular Weight: 197.14

IUPAC Name: 5,7-difluoro-1H-indole-2-carboxylic acid

SMILES: C1=C2C=C(NC2=C(C=C1F)F)C(=O)O

InChIKey: WVZUEYDXSLBMEK-UHFFFAOYSA-N

InChI: InChI=1S/C9H5F2NO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)

Synonyms: 5,7-Difluoroindole-2-carboxylic acid
Details

Pricing Close
3-Bromo-1-methyl-1H-indole-2-carboxylic acid
- ≥95%
Cas Number: 499983-77-6 Compound CID: 15290332

Formula: C₁₀H₈BrNO₂ Molecular Weight: 254.09

IUPAC Name: 3-bromo-1-methylindole-2-carboxylic acid

SMILES: CN1C2=CC=CC=C2C(=C1C(=O)O)Br

InChIKey: IJYYDLASNYBAOR-UHFFFAOYSA-N

InChI: InChI=1S/C10H8BrNO2/c1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14/h2-5H,1H3,(H,13,14)
Details

Pricing Close
2-(Piperazin-1-ylcarbonyl)-1H-indole
- ≥98%
Cas Number: 136818-95-6 Compound CID: 921599

Formula: C₁₃H₁₅N₃O Molecular Weight: 229.28

IUPAC Name: 1H-indol-2-yl(piperazin-1-yl)methanone

SMILES: C1CN(CCN1)C(=O)C2=CC3=CC=CC=C3N2

InChIKey: FIVCRRVYLAXYFC-UHFFFAOYSA-N

InChI: InChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2
Details

Pricing Close
1-tert-Butyl 4-methyl 1H-indole-1，4-dicarboxylate
- ≥98%
Cas Number: 220499-11-6 Compound CID: 12148523

Formula: C₁₅H₁₇NO₄ Molecular Weight: 275.31

IUPAC Name: 1-O-tert-butyl 4-O-methyl indole-1,4-dicarboxylate

SMILES: CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C(=O)OC

InChIKey: HLGNJZVTHXMEHU-UHFFFAOYSA-N

InChI: InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-9-8-10-11(13(17)19-4)6-5-7-12(10)16/h5-9H,1-4H3
Details

Pricing Close
1H-Indole-5-carbohydrazide
- ≥95%
Cas Number: 406192-82-3 Compound CID: 22722154

Formula: C₉H₉N₃O Molecular Weight: 175.19

IUPAC Name: 1H-indole-5-carbohydrazide

SMILES: C1=CC2=C(C=CN2)C=C1C(=O)NN

InChIKey: BIQATJKKTYPJHK-UHFFFAOYSA-N

InChI: InChI=1S/C9H9N3O/c10-12-9(13)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,10H2,(H,12,13)
Details

Pricing Close
1H-Indole-2，5-dicarboxylic acid
- ≥97%
Cas Number: 117140-77-9 Compound CID: 4308326

Formula: C₁₀H₇NO₄ Molecular Weight: 205.17

IUPAC Name: 1H-indole-2,5-dicarboxylic acid

SMILES: C1=CC2=C(C=C1C(=O)O)C=C(N2)C(=O)O

InChIKey: MUABQYJAPOQWCH-UHFFFAOYSA-N

InChI: InChI=1S/C10H7NO4/c12-9(13)5-1-2-7-6(3-5)4-8(11-7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)
Details

Pricing Close
1H-Indole-2，3-dicarboxylic acid
- ≥95%
Cas Number: 103030-09-7 Compound CID: 22394383

Formula: C₁₀H₇NO₄ Molecular Weight: 205.17

IUPAC Name: 1H-indole-2,3-dicarboxylic acid

SMILES: C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C(=O)O

InChIKey: MBNROFBGTNXXMX-UHFFFAOYSA-N

InChI: InChI=1S/C10H7NO4/c12-9(13)7-5-3-1-2-4-6(5)11-8(7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)
Details

Pricing Close
1-Boc-7-methylindole-3-boronic acid pinacol ester
- ≥95%
Cas Number: 1256360-03-8 Compound CID: 53217223

Formula: C₂₀H₂₈BNO₄ Molecular Weight: 357.26

IUPAC Name: tert-butyl 7-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C(C=CC=C23)C)C(=O)OC(C)(C)C

InChIKey: HXLUJYZTBWUMMP-UHFFFAOYSA-N

InChI: InChI=1S/C20H28BNO4/c1-13-10-9-11-14-15(21-25-19(5,6)20(7,8)26-21)12-22(16(13)14)17(23)24-18(2,3)4/h9-12H,1-8H3
Details

Pricing Close
1-Boc-5-formylindoline
- ≥97%
Cas Number: 879887-32-8 Compound CID: 21865437

Formula: C₁₄H₁₇NO₃ Molecular Weight: 247.29

IUPAC Name: tert-butyl 5-formyl-2,3-dihydroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)C=O

InChIKey: BXALJGGFHGKPIM-UHFFFAOYSA-N

InChI: InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-7-6-11-8-10(9-16)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3
Details

Pricing Close
1-Boc-6-methylindole-3-boronic acid pinacol ester
- ≥95%
Cas Number: 1256359-86-0 Compound CID: 53217186

Formula: C₂₀H₂₈BNO₄ Molecular Weight: 357.26

IUPAC Name: tert-butyl 6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC(=C3)C)C(=O)OC(C)(C)C

InChIKey: BUUCDWYNFVFACT-UHFFFAOYSA-N

InChI: InChI=1S/C20H28BNO4/c1-13-9-10-14-15(21-25-19(5,6)20(7,8)26-21)12-22(16(14)11-13)17(23)24-18(2,3)4/h9-12H,1-8H3
Details

Pricing Close
1-Boc-4-Chloroindole
- ≥98%
Cas Number: 129822-46-4 Compound CID: 11402496

Formula: C₁₃H₁₄ClNO₂ Molecular Weight: 251.71

IUPAC Name: tert-butyl 4-chloroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2Cl

InChIKey: SNYOMIGRAXEOBR-UHFFFAOYSA-N

InChI: InChI=1S/C13H14ClNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
Details

Pricing Close
1-Boc-6-methoxyindole-3-boronic acid pinacol ester
- ≥95%
Cas Number: 1256360-00-5 Compound CID: 53217219

Formula: C₂₀H₂₈BNO₅ Molecular Weight: 373.26

IUPAC Name: tert-butyl 6-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC(=C3)OC)C(=O)OC(C)(C)C

InChIKey: NEVYMHCTIQBRQU-UHFFFAOYSA-N

InChI: InChI=1S/C20H28BNO5/c1-18(2,3)25-17(23)22-12-15(14-10-9-13(24-8)11-16(14)22)21-26-19(4,5)20(6,7)27-21/h9-12H,1-8H3
Details

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