2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol

C77H54ClF9N16O11 — CID 159890143

About 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol

2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol (PubChem CID 159890143) has the molecular formula C77H54ClF9N16O11 and a molecular weight of 1585.81 g/mol. Its IUPAC name is 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol.

Molecular Properties

• Compound Name: 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol
• PubChem CID: 159890143
• Molecular Formula: C77H54ClF9N16O11
• Molecular Weight: 1585.81 g/mol
• Exact Mass: 1584.37
• IUPAC Name: 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol
• SMILES: CO.Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.O=C(Nc1ccc(F)cc1F)c1cccnc1Cl.O=C(Nc1ccc(F)cc1F)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.O=[N+]([O-])c1ccc(F)c(F)c1.O=[N+]([O-])c1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.O=c1cc[nH]c2[nH]ccc12
• InChI: InChI=1S/C25H16F3N5O2.C13H8FN3O3.C13H10FN3O.C12H7ClF2N2O.C7H6N2O.C6H3F2NO2.CH4O/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23;14-10-7-8(17(18)19)1-2-12(10)20-11-4-6-16-13-9(11)3-5-15-13;14-10-7-8(15)1-2-12(10)18-11-4-6-17-13-9(11)3-5-16-13;13-11-8(2-1-5-16-11)12(18)17-10-4-3-7(14)6-9(10)15;10-6-2-4-9-7-5(6)1-3-8-7;7-5-2-1-4(9(10)11)3-6(5)8;1-2/h1-13H,(H,29,32)(H,30,31)(H,33,34);1-7H,(H,15,16);1-7H,15H2,(H,16,17);1-6H,(H,17,18);1-4H,(H2,8,9,10);1-3H;2H,1H3
• InChIKey: NUQMXPKQHMQDGY-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 390.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1585.81
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol?

The IUPAC name of 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol (CID 159890143) is 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol.

What is the SMILES notation for 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol?

The canonical SMILES for 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol is CO.Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.O=C(Nc1ccc(F)cc1F)c1cccnc1Cl.O=C(Nc1ccc(F)cc1F)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.O=[N+]([O-])c1ccc(F)c(F)c1.O=[N+]([O-])c1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.O=c1cc[nH]c2[nH]ccc12.

What is the InChIKey of 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol?

The InChIKey is NUQMXPKQHMQDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O2.C13H8FN3O3.C13H10FN3O.C12H7ClF2N2O.C7H6N2O.C6H3F2NO2.CH4O/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23;14-10-7-8(17(18)19)1-2-12(10)20-11-4-6-16-13-9(11)3-5-15-13;14-10-7-8(15)1-2-12(10)18-11-4-6-17-13-9(11)3-5-16-13;13-11-8(2-1-5-16-11)12(18)17-10-4-3-7(14)6-9(10)15;10-6-2-4-9-7-5(6)1-3-8-7;7-5-2-1-4(9(10)11)3-6(5)8;1-2/h1-13H,(H,29,32)(H,30,31)(H,33,34);1-7H,(H,15,16);1-7H,15H2,(H,16,17);1-6H,(H,17,18);1-4H,(H2,8,9,10);1-3H;2H,1H3.

What are the key properties of 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol?

2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol has a molecular weight of 1585.81 g/mol, XLogP of 18.25, 14 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2,4-difluorophenyl)pyridine-3-carboxamide;1,2-difluoro-4-nitrobenzene;N-(2,4-difluorophenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]pyridine-3-carboxamide;1,7-dihydropyrrolo[2,3-b]pyridin-4-one;4-(2-fluoro-4-nitrophenoxy)-1H-pyrrolo[2,3-b]pyridine;3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline;methanol is sourced from PubChem (CID 159890143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).