sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C87H92BCl4F4N20NaO13 — CID 159305672

About sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159305672) has the molecular formula C87H92BCl4F4N20NaO13 and a molecular weight of 1877.43 g/mol. Its IUPAC name is sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159305672
• Molecular Formula: C87H92BCl4F4N20NaO13
• Molecular Weight: 1877.43 g/mol
• Exact Mass: 1874.58
• IUPAC Name: sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: C.C.CC1(C)OB(c2ccnc3[nH]ccc23)OC1(C)C.Cc1nc2ccc(-c3ccnc4[nH]ccc34)nc2n1-c1ccc(N2CCOCC2)c(F)c1.Cc1nc2ccc(Cl)nc2n1-c1ccc(N2CCOCC2)c(F)c1.Nc1ccc(N2CCOCC2)c(F)c1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(N2CCOCC2)c(F)c1.[Na+]
• InChI: InChI=1S/C24H21FN6O.C17H16ClFN4O.C15H14ClFN4O3.C13H17BN2O2.C10H13FN2O.C5H2Cl2N2O2.CH2O3.2CH4.Na/c1-15-28-21-4-3-20(17-6-8-26-23-18(17)7-9-27-23)29-24(21)31(15)16-2-5-22(19(25)14-16)30-10-12-32-13-11-30;1-11-20-14-3-5-16(18)21-17(14)23(11)12-2-4-15(13(19)10-12)22-6-8-24-9-7-22;16-14-4-3-13(21(22)23)15(19-14)18-10-1-2-12(11(17)9-10)20-5-7-24-8-6-20;1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11;11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13;6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;;;/h2-9,14H,10-13H2,1H3,(H,26,27);2-5,10H,6-9H2,1H3;1-4,9H,5-8H2,(H,18,19);5-8H,1-4H3,(H,15,16);1-2,7H,3-6,12H2;1-2H;1,3H;2*1H4;/q;;;;;;;;;+1/p-1
• InChIKey: LBWRZZKQOAVUMT-UHFFFAOYSA-M
• XLogP: 13.08
• TPSA: 386.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.43
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 159305672) is sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is C.C.CC1(C)OB(c2ccnc3[nH]ccc23)OC1(C)C.Cc1nc2ccc(-c3ccnc4[nH]ccc34)nc2n1-c1ccc(N2CCOCC2)c(F)c1.Cc1nc2ccc(Cl)nc2n1-c1ccc(N2CCOCC2)c(F)c1.Nc1ccc(N2CCOCC2)c(F)c1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(N2CCOCC2)c(F)c1.[Na+].

What is the InChIKey of sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is LBWRZZKQOAVUMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21FN6O.C17H16ClFN4O.C15H14ClFN4O3.C13H17BN2O2.C10H13FN2O.C5H2Cl2N2O2.CH2O3.2CH4.Na/c1-15-28-21-4-3-20(17-6-8-26-23-18(17)7-9-27-23)29-24(21)31(15)16-2-5-22(19(25)14-16)30-10-12-32-13-11-30;1-11-20-14-3-5-16(18)21-17(14)23(11)12-2-4-15(13(19)10-12)22-6-8-24-9-7-22;16-14-4-3-13(21(22)23)15(19-14)18-10-1-2-12(11(17)9-10)20-5-7-24-8-6-20;1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11;11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13;6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;;;/h2-9,14H,10-13H2,1H3,(H,26,27);2-5,10H,6-9H2,1H3;1-4,9H,5-8H2,(H,18,19);5-8H,1-4H3,(H,15,16);1-2,7H,3-6,12H2;1-2H;1,3H;2*1H4;/q;;;;;;;;;+1/p-1.

What are the key properties of sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1877.43 g/mol, XLogP of 13.08, 13 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-chloro-N-(3-fluoro-4-morpholin-4-ylphenyl)-3-nitropyridin-2-amine;4-[4-(5-chloro-2-methylimidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl]morpholine;2,6-dichloro-3-nitropyridine;4-[2-fluoro-4-[2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]morpholine;3-fluoro-4-morpholin-4-ylaniline;methane;oxido formate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159305672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).