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Indolecarboxylic acids
Description:
Compounds containing a carboxylic acid group linked to an indole.
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Methyl 3-methyl-1H-indole-6-carboxylateCas Number: 184151-49-3 Compound CID: 21938240Formula: C11H11NO2 Molecular Weight: 189.21IUPAC Name: methyl 3-methyl-1H-indole-6-carboxylateSMILES: CC1=CNC2=C1C=CC(=C2)C(=O)OCInChIKey: DYUBOSKPVMRVDM-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO2/c1-7-6-12-10-5-8(11(13)14-2)3-4-9(7)10/h3-6,12H,1-2H3 -
Methyl 3-cyano-1H-indole-5-carboxylateCas Number: 194490-33-0 Compound CID: 19603726IUPAC Name: methyl 3-cyano-1H-indole-5-carboxylateSMILES: COC(=O)C1=CC2=C(C=C1)NC=C2C#NInChIKey: PAFUKZMNTQWTPL-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-10-9(4-7)8(5-12)6-13-10/h2-4,6,13H,1H3
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Methyl 3-Bromo-1-methylindole-6-carboxylateCas Number: 1186663-45-5 Compound CID: 53429640Formula: C11H10BrNO2 Molecular Weight: 268.11IUPAC Name: methyl 3-bromo-1-methylindole-6-carboxylateSMILES: CN1C=C(C2=C1C=C(C=C2)C(=O)OC)BrInChIKey: BNUJUFJNYWGDTC-UHFFFAOYSA-NInChI: InChI=1S/C11H10BrNO2/c1-13-6-9(12)8-4-3-7(5-10(8)13)11(14)15-2/h3-6H,1-2H3
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Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carboxylateCas Number: 1072811-67-6 Compound CID: 53217126Formula: C16H20BNO4 Molecular Weight: 301.15IUPAC Name: methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carboxylateSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CC=C3N2)C(=O)OCInChIKey: DBUOXHIKCAIAHS-UHFFFAOYSA-NInChI: InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-11-10(14(19)20-5)7-6-8-12(11)18-13/h6-9,18H,1-5H3
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Indoline-6-carboxylic acid hydrochlorideFormula: C9H10ClNO2 Molecular Weight: 199.63IUPAC Name: 2,3-dihydro-1H-indole-6-carboxylic acid;hydrochlorideSMILES: C1CNC2=C1C=CC(=C2)C(=O)O.ClInChIKey: GAPSTRMYKHJESC-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO2.ClH/c11-9(12)7-2-1-6-3-4-10-8(6)5-7;/h1-2,5,10H,3-4H2,(H,11,12);1H
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Ethyl 3-methyl-1H-indole-5-carboxylateCas Number: 73396-90-4 Compound CID: 12628587Formula: C12H13NO2 Molecular Weight: 203.24IUPAC Name: ethyl 3-methyl-1H-indole-5-carboxylateSMILES: CCOC(=O)C1=CC2=C(C=C1)NC=C2CInChIKey: OYOSECHLHOABFT-UHFFFAOYSA-NInChI: InChI=1S/C12H13NO2/c1-3-15-12(14)9-4-5-11-10(6-9)8(2)7-13-11/h4-7,13H,3H2,1-2H3
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Ethyl 3-formyl-1H-indole-5-carboxylateCas Number: 467458-46-4 Compound CID: 21071522IUPAC Name: ethyl 3-formyl-1H-indole-5-carboxylateSMILES: CCOC(=O)C1=CC2=C(C=C1)NC=C2C=OInChIKey: XMCFLTQKFKSXLX-UHFFFAOYSA-NInChI: InChI=1S/C12H11NO3/c1-2-16-12(15)8-3-4-11-10(5-8)9(7-14)6-13-11/h3-7,13H,2H2,1H3
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Ethyl 2-(2-(methylamino)pyrimidin-4-yl)-1H-indole-5-carboxylateCas Number: 916486-06-1 Compound CID: 59800135Formula: C16H16N4O2 Molecular Weight: 296.32IUPAC Name: ethyl 2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylateSMILES: CCOC(=O)C1=CC2=C(C=C1)NC(=C2)C3=NC(=NC=C3)NCInChIKey: RRQRYXWYEZKEBT-UHFFFAOYSA-NInChI: InChI=1S/C16H16N4O2/c1-3-22-15(21)10-4-5-12-11(8-10)9-14(19-12)13-6-7-18-16(17-2)20-13/h4-9,19H,3H2,1-2H3,(H,17,18,20)
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6-Chloro-2，3-dihydro-2-oxo-1H-indole-5-carboxylic AcidCas Number: 1156390-49-6 Compound CID: 43457499Formula: C9H6ClNO3 Molecular Weight: 211.6IUPAC Name: 6-chloro-2-oxo-1,3-dihydroindole-5-carboxylic acidSMILES: C1C2=CC(=C(C=C2NC1=O)Cl)C(=O)OInChIKey: GALGGHJFGWMWCN-UHFFFAOYSA-NInChI: InChI=1S/C9H6ClNO3/c10-6-3-7-4(2-8(12)11-7)1-5(6)9(13)14/h1,3H,2H2,(H,11,12)(H,13,14)
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6-Chloro-1-methyl-1H-indole-5-carboxylic acidCas Number: 431062-03-2 Compound CID: 18940914IUPAC Name: 6-chloro-1-methylindole-5-carboxylic acidSMILES: CN1C=CC2=CC(=C(C=C21)Cl)C(=O)OInChIKey: RTGGBNWGOOTSRD-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClNO2/c1-12-3-2-6-4-7(10(13)14)8(11)5-9(6)12/h2-5H,1H3,(H,13,14)
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6-Amino-1H-indole-4-carboxylic acidCas Number: 885520-34-3 Compound CID: 21901150Formula: C9H8N2O2 Molecular Weight: 176.17IUPAC Name: 6-amino-1H-indole-4-carboxylic acidSMILES: C1=CNC2=CC(=CC(=C21)C(=O)O)NInChIKey: KQTOTRDWHQRKJC-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O2/c10-5-3-7(9(12)13)6-1-2-11-8(6)4-5/h1-4,11H,10H2,(H,12,13)
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(1-(tert-Butoxycarbonyl)-5，6-dichloro-1H-indol-2-yl)boronic acidCas Number: 1310384-28-1 Compound CID: 45789933Formula: C13H14BCl2NO4 Molecular Weight: 329.98IUPAC Name: [5,6-dichloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acidSMILES: B(C1=CC2=CC(=C(C=C2N1C(=O)OC(C)(C)C)Cl)Cl)(O)OInChIKey: BRRPGLYHNRRPNX-UHFFFAOYSA-NInChI: InChI=1S/C13H14BCl2NO4/c1-13(2,3)21-12(18)17-10-6-9(16)8(15)4-7(10)5-11(17)14(19)20/h4-6,19-20H,1-3H3
