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Pyrrole carboxylic acids
Description:
Heterocyclic compounds containing a pyrrole ring bearing a carboxyl group.
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5-(Ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acidCas Number: 90610-57-4Formula: C9H11NO4 Molecular Weight: 197.19SMILES: CCOC(=O)C1=C(C(=CN1)C(=O)O)CInChIKey: MGEYWENIZONWLZ-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO4/c1-3-14-9(13)7-5(2)6(4-10-7)8(11)12/h4,10H,3H2,1-2H3,(H,11,12) -
5-(Methoxycarbonyl)-1H-pyrrole-2-carboxylic acidCas Number: 1199-64-0Formula: C7H7NO4 Molecular Weight: 169.13SMILES: COC(=O)C1=CC=C(N1)C(=O)OInChIKey: RSCFOPAKJCCZNX-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO4/c1-12-7(11)5-3-2-4(8-5)6(9)10/h2-3,8H,1H3,(H,9,10)
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5-Isopropyl-1H-pyrrole-2-carboxylic acidCas Number: 90607-16-2 Compound CID: 45082075Formula: C8H11NO2 Molecular Weight: 153.18IUPAC Name: 5-propan-2-yl-1H-pyrrole-2-carboxylic acidSMILES: CC(C)C1=CC=C(N1)C(=O)OInChIKey: RUVJYWIINMYEAQ-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO2/c1-5(2)6-3-4-7(9-6)8(10)11/h3-5,9H,1-2H3,(H,10,11)
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5-Formyl-1H-pyrrole-2-carboxylic acidCas Number: 7126-51-4 Compound CID: 15160089Formula: C6H5NO3IUPAC Name: 5-formyl-1H-pyrrole-2-carboxylic acidSMILES: C1=C(NC(=C1)C(=O)O)C=OInChIKey: RHYXVCZQDGPFBX-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO3/c8-3-4-1-2-5(7-4)6(9)10/h1-3,7H,(H,9,10)
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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)
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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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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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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)
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4-Formyl-3，5-dimethyl-1H-pyrrole-2-carboxylic acidCas Number: 17120-26-2 Compound CID: 687898Formula: C8H9NO3 Molecular Weight: 167.16IUPAC Name: 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acidSMILES: CC1=C(NC(=C1C=O)C)C(=O)OInChIKey: ATIAZNFYOJDAIO-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-4-6(3-10)5(2)9-7(4)8(11)12/h3,9H,1-2H3,(H,11,12)
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4-(Pyridin-4-yl)-1H-pyrrole-3-carboxylic acidCas Number: 197774-71-3 Compound CID: 1519377Formula: C10H8N2O2 Molecular Weight: 188.18IUPAC Name: 4-pyridin-4-yl-1H-pyrrole-3-carboxylic acidSMILES: C1=CN=CC=C1C2=CNC=C2C(=O)OInChIKey: DEZPLIJUGSJTCE-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2O2/c13-10(14)9-6-12-5-8(9)7-1-3-11-4-2-7/h1-6,12H,(H,13,14)
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4-(Pyridin-3-yl)-1H-pyrrole-3-carboxylic acidCas Number: 885954-13-2 Compound CID: 1519378Formula: C10H8N2O2 Molecular Weight: 188.19IUPAC Name: 4-pyridin-3-yl-1H-pyrrole-3-carboxylic acidSMILES: C1=CC(=CN=C1)C2=CNC=C2C(=O)OInChIKey: MAGYOMUEXSZVNW-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2O2/c13-10(14)9-6-12-5-8(9)7-2-1-3-11-4-7/h1-6,12H,(H,13,14)
