sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate

C75H68BCl8F4N16NaO13 — CID 157076329

About sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate

sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate (PubChem CID 157076329) has the molecular formula C75H68BCl8F4N16NaO13 and a molecular weight of 1794.89 g/mol. Its IUPAC name is sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate.

Molecular Properties

• Compound Name: sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate
• PubChem CID: 157076329
• Molecular Formula: C75H68BCl8F4N16NaO13
• Molecular Weight: 1794.89 g/mol
• Exact Mass: 1790.26
• IUPAC Name: sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate
• SMILES: CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1nc2ccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)nc2n1-c1ccc(Cl)c(F)c1.Cc1nc2ccc(Cl)nc2n1-c1ccc(Cl)c(F)c1.Nc1ccc(Cl)c(F)c1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(Cl)c(F)c1.[Na+]
• InChI: InChI=1S/C23H21ClFN5O2.C16H25BN2O4.C13H8Cl2FN3.C11H6Cl2FN3O2.C6H5ClFN.C5H2Cl2N2O2.CH2O3.Na/c1-13-27-19-8-7-18(28-21(19)30(13)15-5-6-16(24)17(25)12-15)14-9-10-26-20(11-14)29-22(31)32-23(2,3)4;1-14(2,3)21-13(20)19-12-10-11(8-9-18-12)17-22-15(4,5)16(6,7)23-17;1-7-17-11-4-5-12(15)18-13(11)19(7)8-2-3-9(14)10(16)6-8;12-7-2-1-6(5-8(7)14)15-11-9(17(18)19)3-4-10(13)16-11;7-5-2-1-4(9)3-6(5)8;6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;/h5-12H,1-4H3,(H,26,29,31);8-10H,1-7H3,(H,18,19,20);2-6H,1H3;1-5H,(H,15,16);1-3H,9H2;1-2H;1,3H;/q;;;;;;;+1/p-1
• InChIKey: ACZZCGRYJRMNGU-UHFFFAOYSA-M
• XLogP: 16.81
• TPSA: 381.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.89
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate?

The IUPAC name of sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate (CID 157076329) is sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate.

What is the SMILES notation for sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate?

The canonical SMILES for sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate is CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1nc2ccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)nc2n1-c1ccc(Cl)c(F)c1.Cc1nc2ccc(Cl)nc2n1-c1ccc(Cl)c(F)c1.Nc1ccc(Cl)c(F)c1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(Cl)c(F)c1.[Na+].

What is the InChIKey of sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate?

The InChIKey is ACZZCGRYJRMNGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21ClFN5O2.C16H25BN2O4.C13H8Cl2FN3.C11H6Cl2FN3O2.C6H5ClFN.C5H2Cl2N2O2.CH2O3.Na/c1-13-27-19-8-7-18(28-21(19)30(13)15-5-6-16(24)17(25)12-15)14-9-10-26-20(11-14)29-22(31)32-23(2,3)4;1-14(2,3)21-13(20)19-12-10-11(8-9-18-12)17-22-15(4,5)16(6,7)23-17;1-7-17-11-4-5-12(15)18-13(11)19(7)8-2-3-9(14)10(16)6-8;12-7-2-1-6(5-8(7)14)15-11-9(17(18)19)3-4-10(13)16-11;7-5-2-1-4(9)3-6(5)8;6-4-2-1-3(9(10)11)5(7)8-4;2-1-4-3;/h5-12H,1-4H3,(H,26,29,31);8-10H,1-7H3,(H,18,19,20);2-6H,1H3;1-5H,(H,15,16);1-3H,9H2;1-2H;1,3H;/q;;;;;;;+1/p-1.

What are the key properties of sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate?

sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate has a molecular weight of 1794.89 g/mol, XLogP of 16.81, 11 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;6-chloro-N-(4-chloro-3-fluorophenyl)-3-nitropyridin-2-amine;4-chloro-3-fluoroaniline;2,6-dichloro-3-nitropyridine;oxido formate is sourced from PubChem (CID 157076329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).