5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol

C110H107BrClF16N19O12 — CID 159073257

About 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol

5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol (PubChem CID 159073257) has the molecular formula C110H107BrClF16N19O12 and a molecular weight of 2306.51 g/mol. Its IUPAC name is 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol.

Molecular Properties

• Compound Name: 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol
• PubChem CID: 159073257
• Molecular Formula: C110H107BrClF16N19O12
• Molecular Weight: 2306.51 g/mol
• Exact Mass: 2303.70
• IUPAC Name: 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol
• SMILES: CO.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(N5CCC(F)(F)CC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.FC1(F)CCNCC1.Nc1ccc(N2CCC(F)(F)CC2)cn1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(N4CCC(F)(F)CC4)cn3)c21.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cn1
• InChI: InChI=1S/C33H30F4N4O3.C24H20F4N4O.C22H17ClF2N2O3.C10H11F2N3O2.C10H13F2N3.C5H3BrN2O2.C5H9F2N.CH4O/c1-43-24-9-6-20(29(16-24)44-2)18-41-19-28-30(32(41)42)21(15-27(39-28)31-25(34)4-3-5-26(31)35)14-22-7-8-23(17-38-22)40-12-10-33(36,37)11-13-40;25-17-2-1-3-18(26)22(17)19-11-14(21-20(31-19)13-30-23(21)33)10-15-4-5-16(12-29-15)32-8-6-24(27,28)7-9-32;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;11-10(12)3-5-14(6-4-10)8-1-2-9(13-7-8)15(16)17;11-10(12)3-5-15(6-4-10)8-1-2-9(13)14-7-8;6-4-1-2-5(7-3-4)8(9)10;6-5(7)1-3-8-4-2-5;1-2/h3-9,15-17H,10-14,18-19H2,1-2H3;1-5,11-12H,6-10,13H2,(H,30,33);3-9H,10-11H2,1-2H3;1-2,7H,3-6H2;1-2,7H,3-6H2,(H2,13,14);1-3H;8H,1-4H2;2H,1H3
• InChIKey: JZXVQKRJFVPVKZ-UHFFFAOYSA-N
• XLogP: 22.26
• TPSA: 367.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2306.51
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'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 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol?

The IUPAC name of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol (CID 159073257) is 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol.

What is the SMILES notation for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol?

The canonical SMILES for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol is CO.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(N5CCC(F)(F)CC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.FC1(F)CCNCC1.Nc1ccc(N2CCC(F)(F)CC2)cn1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(N4CCC(F)(F)CC4)cn3)c21.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cn1.

What is the InChIKey of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol?

The InChIKey is JZXVQKRJFVPVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F4N4O3.C24H20F4N4O.C22H17ClF2N2O3.C10H11F2N3O2.C10H13F2N3.C5H3BrN2O2.C5H9F2N.CH4O/c1-43-24-9-6-20(29(16-24)44-2)18-41-19-28-30(32(41)42)21(15-27(39-28)31-25(34)4-3-5-26(31)35)14-22-7-8-23(17-38-22)40-12-10-33(36,37)11-13-40;25-17-2-1-3-18(26)22(17)19-11-14(21-20(31-19)13-30-23(21)33)10-15-4-5-16(12-29-15)32-8-6-24(27,28)7-9-32;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;11-10(12)3-5-14(6-4-10)8-1-2-9(13-7-8)15(16)17;11-10(12)3-5-15(6-4-10)8-1-2-9(13)14-7-8;6-4-1-2-5(7-3-4)8(9)10;6-5(7)1-3-8-4-2-5;1-2/h3-9,15-17H,10-14,18-19H2,1-2H3;1-5,11-12H,6-10,13H2,(H,30,33);3-9H,10-11H2,1-2H3;1-2,7H,3-6H2;1-2,7H,3-6H2,(H2,13,14);1-3H;8H,1-4H2;2H,1H3.

What are the key properties of 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol?

5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol has a molecular weight of 2306.51 g/mol, XLogP of 22.26, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-nitropyridine;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]methyl]-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,4-difluoropiperidine;5-(4,4-difluoropiperidin-1-yl)-2-nitropyridine;5-(4,4-difluoropiperidin-1-yl)pyridin-2-amine;methanol is sourced from PubChem (CID 159073257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).