2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine

C64H51FN16O9 — CID 157389102

IUPAC2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine
SMILESCOc1ccc(C(=O)Nc2ccc(-n3ccc4ccncc43)nc2)cc1.COc1ccc(C(=O)O)cc1.Nc1ccc(-n2ccc3ccncc32)nc1.O=[N+]([O-])c1ccc(-n2ccc3ccncc32)nc1.O=[N+]([O-])c1ccc(F)nc1.c1cc2cc[nH]c2cn1
InChIInChI=1S/C20H16N4O2.C12H8N4O2.C12H10N4.C8H8O3.C7H6N2.C5H3FN2O2/c1-26-17-5-2-15(3-6-17)20(25)23-16-4-7-19(22-12-16)24-11-9-14-8-10-21-13-18(14)24;17-16(18)10-1-2-12(14-7-10)15-6-4-9-3-5-13-8-11(9)15;13-10-1-2-12(15-7-10)16-6-4-9-3-5-14-8-11(9)16;1-11-7-4-2-6(3-5-7)8(9)10;1-3-8-5-7-6(1)2-4-9-7;6-5-2-1-4(3-7-5)8(9)10/h2-13H,1H3,(H,23,25);1-8H;1-8H,13H2;2-5H,1H3,(H,9,10);1-5,9H;1-3H
InChIKeyBLUAWBRJMNGKPW-UHFFFAOYSA-N
MW1207.21 g/mol
LogP12.10
Rot. Bonds10

About 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine

2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine (PubChem CID 157389102) has the molecular formula C64H51FN16O9 and a molecular weight of 1207.21 g/mol. Its IUPAC name is 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine
PubChem CID157389102
Molecular FormulaC64H51FN16O9
Molecular Weight1207.21 g/mol
Exact Mass1206.40
IUPAC Name2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine
SMILESCOc1ccc(C(=O)Nc2ccc(-n3ccc4ccncc43)nc2)cc1.COc1ccc(C(=O)O)cc1.Nc1ccc(-n2ccc3ccncc32)nc1.O=[N+]([O-])c1ccc(-n2ccc3ccncc32)nc1.O=[N+]([O-])c1ccc(F)nc1.c1cc2cc[nH]c2cn1
InChIInChI=1S/C20H16N4O2.C12H8N4O2.C12H10N4.C8H8O3.C7H6N2.C5H3FN2O2/c1-26-17-5-2-15(3-6-17)20(25)23-16-4-7-19(22-12-16)24-11-9-14-8-10-21-13-18(14)24;17-16(18)10-1-2-12(14-7-10)15-6-4-9-3-5-13-8-11(9)15;13-10-1-2-12(15-7-10)16-6-4-9-3-5-14-8-11(9)16;1-11-7-4-2-6(3-5-7)8(9)10;1-3-8-5-7-6(1)2-4-9-7;6-5-2-1-4(3-7-5)8(9)10/h2-13H,1H3,(H,23,25);1-8H;1-8H,13H2;2-5H,1H3,(H,9,10);1-5,9H;1-3H
InChIKeyBLUAWBRJMNGKPW-UHFFFAOYSA-N
XLogP12.10
TPSA330.86 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.21
LogP ≤ 512.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine with MolForge

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Related Compounds

dimethyl sulfate;ethyl 4-cyanatobenzoate;ethyl 4-[(6-methylpyrrolo[2,3-c]pyridin-3-yl)carbamoylamino]benzoate;6-methyl-3-nitropyrrolo[2,3-c]pyridine;6-methylpyrrolo[2,3-c]pyridin-3-amine;3-nitro-1H-pyrrolo[2,3-c]pyridine
CID 157646011
7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine;1-ethyl-4-methoxybenzene;1H-imidazo[4,5-b]pyridine-7-carboxylic acid;1-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-4-propylpyrrolidin-2-one;[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;7-methyl-1H-imidazo[4,5-b]pyridine;bis(methyl 1H-imidazo[4,5-b]pyridine-7-carboxylate);4-methyl-3-nitropyridin-2-amine;4-propylpyrrolidin-2-one
CID 158714286
3-[(4-methoxyphenyl)methyl]-7-methyl-2-phenylimidazo[4,5-b]pyridine;3-[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-b]pyridine-7-carbaldehyde;2-[3-[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-b]pyridin-7-yl]-N,N-dimethylethenamine;1-[[3-[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;4-methyl-3-nitropyridin-2-amine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine
CID 158885717
3-[(4-methoxyphenyl)methyl]-7-methyl-2-phenylimidazo[4,5-b]pyridine;3-[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-b]pyridine-7-carbaldehyde;2-[3-[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-b]pyridin-7-yl]-N,N-dimethylethenamine;1-[[3-[(4-methoxyphenyl)methyl]-2-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;4-methyl-3-nitropyridin-2-amine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;1-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one
CID 159485054
dimethyl sulfate;ethyl 4-cyanatobenzoate;ethyl 4-[(1-methylpyrrolo[2,3-c]pyridin-3-yl)carbamoylamino]benzoate;1-methyl-3-nitropyrrolo[2,3-c]pyridine;1-methylpyrrolo[2,3-c]pyridin-3-amine;3-nitro-1H-pyrrolo[2,3-c]pyridine
CID 161149405
ethyl 4-cyanatobenzoate;ethyl 4-(1H-pyrrolo[2,3-c]pyridin-3-ylcarbamoylamino)benzoate;3-nitro-1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridin-3-amine;1H-pyrrolo[2,3-c]pyridine
CID 162159818

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine?
The IUPAC name of 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine (CID 157389102) is 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine.
What is the SMILES notation for 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine?
The canonical SMILES for 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine is COc1ccc(C(=O)Nc2ccc(-n3ccc4ccncc43)nc2)cc1.COc1ccc(C(=O)O)cc1.Nc1ccc(-n2ccc3ccncc32)nc1.O=[N+]([O-])c1ccc(-n2ccc3ccncc32)nc1.O=[N+]([O-])c1ccc(F)nc1.c1cc2cc[nH]c2cn1.
What is the InChIKey of 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine?
The InChIKey is BLUAWBRJMNGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2.C12H8N4O2.C12H10N4.C8H8O3.C7H6N2.C5H3FN2O2/c1-26-17-5-2-15(3-6-17)20(25)23-16-4-7-19(22-12-16)24-11-9-14-8-10-21-13-18(14)24;17-16(18)10-1-2-12(14-7-10)15-6-4-9-3-5-13-8-11(9)15;13-10-1-2-12(15-7-10)16-6-4-9-3-5-14-8-11(9)16;1-11-7-4-2-6(3-5-7)8(9)10;1-3-8-5-7-6(1)2-4-9-7;6-5-2-1-4(3-7-5)8(9)10/h2-13H,1H3,(H,23,25);1-8H;1-8H,13H2;2-5H,1H3,(H,9,10);1-5,9H;1-3H.
What are the key properties of 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine?
2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine has a molecular weight of 1207.21 g/mol, XLogP of 12.10, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitropyridine;4-methoxybenzoic acid;4-methoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)benzamide;1-(5-nitro-2-pyridinyl)pyrrolo[2,3-c]pyridine;1H-pyrrolo[2,3-c]pyridine;6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine is sourced from PubChem (CID 157389102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).