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Pyrroles
Description:
Compounds containing a pyrrole ring, which is a five-member aromatic heterocycle with one nitrogen atom and four carbon atoms.
Ancestors:
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4，5-Dichloro-1H-pyrrole-2-carboxylic acidCas Number: 39209-94-4 Compound CID: 16227494IUPAC Name: 4,5-dichloro-1H-pyrrole-2-carboxylic acidSMILES: C1=C(NC(=C1Cl)Cl)C(=O)OInChIKey: MNMMKOBJLQMWLQ-UHFFFAOYSA-NInChI: InChI=1S/C5H3Cl2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10) -
4-Formyl-1H-pyrrole-2-carboxylicacidCas Number: 7126-53-6 Compound CID: 13780813Formula: C6H5NO3 Molecular Weight: 139.11IUPAC Name: 4-formyl-1H-pyrrole-2-carboxylic acidSMILES: C1=C(NC=C1C=O)C(=O)OInChIKey: IGQGTSFYIOGZRK-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO3/c8-3-4-1-5(6(9)10)7-2-4/h1-3,7H,(H,9,10)
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4-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acidCas Number: 340312-91-6 Compound CID: 776845Formula: C14H15NO2 Molecular Weight: 229.279IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acidSMILES: CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)O)C)CInChIKey: WFLCJVLXABNRGL-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO2/c1-9-8-12(14(16)17)6-7-13(9)15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,16,17)
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4-(1H-Pyrrol-1-yl)benzenesulfonamideCas Number: 5438-30-2 Compound CID: 226310Formula: C10H10N2O2S Molecular Weight: 222.27IUPAC Name: 4-pyrrol-1-ylbenzenesulfonamideSMILES: C1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)NInChIKey: HEROWGICZZJWKP-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2S/c11-15(13,14)10-5-3-9(4-6-10)12-7-1-2-8-12/h1-8H,(H2,11,13,14)
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3，4-Dichloro-5-methyl-1H-pyrrole-2-carboxylic acidCas Number: 24691-30-3 Compound CID: 25137682Formula: C6H5Cl2NO2 Molecular Weight: 194.01IUPAC Name: 3,4-dichloro-5-methyl-1H-pyrrole-2-carboxylic acidSMILES: CC1=C(C(=C(N1)C(=O)O)Cl)ClInChIKey: HIXZMJPBUJFSPJ-UHFFFAOYSA-NInChI: InChI=1S/C6H5Cl2NO2/c1-2-3(7)4(8)5(9-2)6(10)11/h9H,1H3,(H,10,11)
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1-Methyl-4-(Trifluoromethyl)-1H-Pyrrole-3-Carboxylic AcidCas Number: 130530-01-7 Compound CID: 11788779Formula: C7H6F3NO2 Molecular Weight: 193.13IUPAC Name: 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acidSMILES: CN1C=C(C(=C1)C(F)(F)F)C(=O)OInChIKey: SWIGLLMSRXLGCV-UHFFFAOYSA-NInChI: InChI=1S/C7H6F3NO2/c1-11-2-4(6(12)13)5(3-11)7(8,9)10/h2-3H,1H3,(H,12,13)
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1-(2-chlorophenyl)pyrrole-2-carbaldehydeCas Number: 124695-22-3 Compound CID: 3159704Formula: C11H8ClNO Molecular Weight: 205.65IUPAC Name: 1-(2-chlorophenyl)pyrrole-2-carbaldehydeSMILES: C1=CC=C(C(=C1)N2C=CC=C2C=O)ClInChIKey: ZGGBSDXOHAFIOQ-UHFFFAOYSA-NInChI: InChI=1S/C11H8ClNO/c12-10-5-1-2-6-11(10)13-7-3-4-9(13)8-14/h1-8H
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1-(2-Nitrophenyl)-1H-pyrrole-2-carbaldehydeCas Number: 33265-61-1 Compound CID: 4715391Formula: C11H8N2O3 Molecular Weight: 216.2IUPAC Name: 1-(2-nitrophenyl)pyrrole-2-carbaldehydeSMILES: C1=CC=C(C(=C1)N2C=CC=C2C=O)[N+](=O)[O-]InChIKey: LMLICLRBZPFXMK-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2O3/c14-8-9-4-3-7-12(9)10-5-1-2-6-11(10)13(15)16/h1-8H
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(5-Cyano-1-methyl-1H-pyrrol-2-yl)boronic acidCas Number: 860617-71-6 Compound CID: 11708078Formula: C6H7BN2O2 Molecular Weight: 149.94IUPAC Name: (5-cyano-1-methylpyrrol-2-yl)boronic acidSMILES: B(C1=CC=C(N1C)C#N)(O)OInChIKey: CMPMUHFINOXALE-UHFFFAOYSA-NInChI: InChI=1S/C6H7BN2O2/c1-9-5(4-8)2-3-6(9)7(10)11/h2-3,10-11H,1H3
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1H-pyrrole-2-carbonitrileCas Number: 4513-94-4Formula: C5H4N2 Molecular Weight: 92.1IUPAC Name: 1H-pyrrole-2-carbonitrileSMILES: C1=CNC(=C1)C#NInChIKey: BQMPGKPTOHKYHS-UHFFFAOYSA-NInChI: InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7HSynonyms: Pyrrole-2-carbonitrile | 2-Cyanopyrrole | NSC 10605
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Methyl 4，5-Dibromo-1-methylpyrrole-2-carboxylateCas Number: 1198-71-6 Compound CID: 360185Formula: C7H7NO2Br2 Molecular Weight: 296.94IUPAC Name: methyl 4,5-dibromo-1-methylpyrrole-2-carboxylateSMILES: CN1C(=CC(=C1Br)Br)C(=O)OCInChIKey: UTOZAUBXQWRZIF-UHFFFAOYSA-NInChI: InChI=1S/C7H7Br2NO2/c1-10-5(7(11)12-2)3-4(8)6(10)9/h3H,1-2H3Synonyms: Methyl 4,5-dibromo-1-methyl-1H-pyrrole-2-carboxylate
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4,5-Dibromo-1H-pyrrole-2-carboxylic acidCas Number: 34649-21-3Formula: C5H3Br2NO2 Molecular Weight: 268.89IUPAC Name: 4,5-dibromo-1H-pyrrole-2-carboxylic acidSMILES: C1=C(NC(=C1Br)Br)C(=O)OInChIKey: ZUROCNHARMFRKA-UHFFFAOYSA-NInChI: InChI=1S/C5H3Br2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10)
