2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid

C48H60ClN11O7 — CID 90849466

About 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid

2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 90849466) has the molecular formula C48H60ClN11O7 and a molecular weight of 938.53 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 90849466
• Molecular Formula: C48H60ClN11O7
• Molecular Weight: 938.53 g/mol
• Exact Mass: 937.44
• IUPAC Name: 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
• SMILES: Cc1cnc(Cl)c([N+](=O)[O-])c1.Cc1cnc(NC2CCCCC2)c(N)c1.NC1CCCCC1.O=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1
• InChI: InChI=1S/C18H18N4O2.C12H19N3.C6H5ClN2O2.C6H5NO3.C6H13N/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10;1-4-2-5(9(10)11)6(7)8-3-4;8-5-2-1-4(3-7-5)6(9)10;7-6-4-2-1-3-5-6/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15);2-3H,1H3;1-3H,(H,7,8)(H,9,10);6H,1-5,7H2
• InChIKey: KMMUNEDSGQLYOM-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 284.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	938.53
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid (CID 90849466) is 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid is Cc1cnc(Cl)c([N+](=O)[O-])c1.Cc1cnc(NC2CCCCC2)c(N)c1.NC1CCCCC1.O=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1.

What is the InChIKey of 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is KMMUNEDSGQLYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C12H19N3.C6H5ClN2O2.C6H5NO3.C6H13N/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10;1-4-2-5(9(10)11)6(7)8-3-4;8-5-2-1-4(3-7-5)6(9)10;7-6-4-2-1-3-5-6/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15);2-3H,1H3;1-3H,(H,7,8)(H,9,10);6H,1-5,7H2.

What are the key properties of 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid?

2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 938.53 g/mol, XLogP of 9.72, 7 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 90849466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).