6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid

C86H93Cl2N19O21 — CID 160709751

About 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid

6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 160709751) has the molecular formula C86H93Cl2N19O21 and a molecular weight of 1799.71 g/mol. Its IUPAC name is 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
• PubChem CID: 160709751
• Molecular Formula: C86H93Cl2N19O21
• Molecular Weight: 1799.71 g/mol
• Exact Mass: 1797.62
• IUPAC Name: 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
• SMILES: COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(NC(C)C)c(N)c1.COC(=O)c1cnc(NC(C)C)c(NC(=O)c2ccc(C)cc2)c1.COC(=O)c1cnc(NC(C)C)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)nc(-c1ccc(C)cc1)n2C(C)C.Cc1ccc(-c2nc3cc(C(=O)O)cnc3n2C(C)C)cc1.O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1
• InChI: InChI=1S/C18H21N3O3.C18H19N3O2.C17H17N3O2.C10H13N3O4.C10H15N3O2.C7H5ClN2O4.C6H3ClN2O4/c1-11(2)20-16-15(9-14(10-19-16)18(23)24-4)21-17(22)13-7-5-12(3)6-8-13;1-11(2)21-16(13-7-5-12(3)6-8-13)20-15-9-14(18(22)23-4)10-19-17(15)21;1-10(2)20-15(12-6-4-11(3)5-7-12)19-14-8-13(17(21)22)9-18-16(14)20;1-6(2)12-9-8(13(15)16)4-7(5-11-9)10(14)17-3;1-6(2)13-9-8(11)4-7(5-12-9)10(14)15-3;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;7-5-4(9(12)13)1-3(2-8-5)6(10)11/h5-11H,1-4H3,(H,19,20)(H,21,22);5-11H,1-4H3;4-10H,1-3H3,(H,21,22);4-6H,1-3H3,(H,11,12);4-6H,11H2,1-3H3,(H,12,13);2-3H,1H3;1-2H,(H,10,11)
• InChIKey: RRRVZIFBANBIBK-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 552.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1799.71
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?

The IUPAC name of 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 160709751) is 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?

The canonical SMILES for 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid is COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(NC(C)C)c(N)c1.COC(=O)c1cnc(NC(C)C)c(NC(=O)c2ccc(C)cc2)c1.COC(=O)c1cnc(NC(C)C)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)nc(-c1ccc(C)cc1)n2C(C)C.Cc1ccc(-c2nc3cc(C(=O)O)cnc3n2C(C)C)cc1.O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1.

What is the InChIKey of 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?

The InChIKey is RRRVZIFBANBIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.C18H19N3O2.C17H17N3O2.C10H13N3O4.C10H15N3O2.C7H5ClN2O4.C6H3ClN2O4/c1-11(2)20-16-15(9-14(10-19-16)18(23)24-4)21-17(22)13-7-5-12(3)6-8-13;1-11(2)21-16(13-7-5-12(3)6-8-13)20-15-9-14(18(22)23-4)10-19-17(15)21;1-10(2)20-15(12-6-4-11(3)5-7-12)19-14-8-13(17(21)22)9-18-16(14)20;1-6(2)12-9-8(13(15)16)4-7(5-11-9)10(14)17-3;1-6(2)13-9-8(11)4-7(5-12-9)10(14)15-3;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;7-5-4(9(12)13)1-3(2-8-5)6(10)11/h5-11H,1-4H3,(H,19,20)(H,21,22);5-11H,1-4H3;4-10H,1-3H3,(H,21,22);4-6H,1-3H3,(H,11,12);4-6H,11H2,1-3H3,(H,12,13);2-3H,1H3;1-2H,(H,10,11).

What are the key properties of 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?

6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 1799.71 g/mol, XLogP of 16.35, 22 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 160709751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).