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Substituted pyrroles
Description:
Heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
Ancestors:
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2-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)-1H-pyrroleCas Number: 476004-79-2 Compound CID: 23058064Formula: C10H16BNO2 Molecular Weight: 193.06IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrroleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2InChIKey: YBJLMIJWFHVJQU-UHFFFAOYSA-NInChI: InChI=1S/C10H16BNO2/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h5-7,12H,1-4H3 -
2-(1H-pyrrol-2-yl)acetonitrileCas Number: 50551-29-6 Compound CID: 13067931Formula: C6H6N2 Molecular Weight: 106.13IUPAC Name: 2-(1H-pyrrol-2-yl)acetonitrileSMILES: C1=CNC(=C1)CC#NInChIKey: MKVATVUOVMCHJJ-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3H2
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2,4-Dichloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidineCas Number: 237435-80-2 Compound CID: 10563544Formula: C12H7Cl2N3 Molecular Weight: 264.12IUPAC Name: 2,4-dichloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidineSMILES: C1=CC=C(C=C1)C2=CC3=C(N2)C(=NC(=N3)Cl)ClInChIKey: RSYBVSVLBSDACE-UHFFFAOYSA-NInChI: InChI=1S/C12H7Cl2N3/c13-11-10-9(16-12(14)17-11)6-8(15-10)7-4-2-1-3-5-7/h1-6,15H
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1-(4-Fluorophenyl)-1H-pyrrole-2-carbaldehydeCas Number: 169036-71-9 Compound CID: 3161845Formula: C11H8FNO Molecular Weight: 189.19IUPAC Name: 1-(4-fluorophenyl)pyrrole-2-carbaldehydeSMILES: C1=CN(C(=C1)C=O)C2=CC=C(C=C2)FInChIKey: JDANDWLVCIKGCA-UHFFFAOYSA-NInChI: InChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
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1-(3-Iodophenyl)-2，5-Dimethyl-1H-PyrroleCas Number: 217314-37-9 Compound CID: 4763629Formula: C12H12IN Molecular Weight: 297.14IUPAC Name: 1-(3-iodophenyl)-2,5-dimethylpyrroleSMILES: CC1=CC=C(N1C2=CC(=CC=C2)I)CInChIKey: ZONDZQDYFVQUKL-UHFFFAOYSA-NInChI: InChI=1S/C12H12IN/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,1-2H3
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Pyrrole-2-acetic AcidIUPAC Name: 2-(1H-pyrrol-2-yl)acetic acidSMILES: C1=CNC(=C1)CC(=O)OInChIKey: GVUHUYQEAGMUNJ-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9)
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Methyl4-phenyl-1h-pyrrole-3-carboxylateCas Number: 40167-34-8 Compound CID: 5142464Formula: C12H11NO2 Molecular Weight: 201.23IUPAC Name: methyl 4-phenyl-1H-pyrrole-3-carboxylateSMILES: COC(=O)C1=CNC=C1C2=CC=CC=C2InChIKey: IQUXHEPTOZFPQJ-UHFFFAOYSA-NInChI: InChI=1S/C12H11NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-8,13H,1H3
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Ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylateCas Number: 237435-27-7 Compound CID: 10751930Formula: C13H14N2O2 Molecular Weight: 230.26IUPAC Name: ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylateSMILES: CCOC(=O)C1=C(C=C(N1)C2=CC=CC=C2)NInChIKey: DJUKQRWPMVBJPJ-UHFFFAOYSA-NInChI: InChI=1S/C13H14N2O2/c1-2-17-13(16)12-10(14)8-11(15-12)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3
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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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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
