2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one

C60H66Cl3N21O15 — CID 158311811

About 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one

2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one (PubChem CID 158311811) has the molecular formula C60H66Cl3N21O15 and a molecular weight of 1427.68 g/mol. Its IUPAC name is 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one
• PubChem CID: 158311811
• Molecular Formula: C60H66Cl3N21O15
• Molecular Weight: 1427.68 g/mol
• Exact Mass: 1425.41
• IUPAC Name: 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one
• SMILES: Cc1cc(=O)[nH]cc1[N+](=O)[O-].Cc1cc(Cl)ncc1[N+](=O)[O-].Cc1cc(N)ncc1[N+](=O)[O-].Cc1cc[nH]c(=O)c1.Cc1cc[nH]c(=O)c1[N+](=O)[O-].Cc1ccnc(Cl)c1N.Cc1ccnc(Cl)c1[N+](=O)[O-].Cc1ccnc(N)c1.Cc1ccnc(N)c1[N+](=O)[O-].Cc1ccncc1N
• InChI: InChI=1S/2C6H5ClN2O2.C6H7ClN2.2C6H7N3O2.2C6H6N2O3.2C6H8N2.C6H7NO/c1-4-2-6(7)8-3-5(4)9(10)11;1-4-2-3-8-6(7)5(4)9(10)11;1-4-2-3-9-6(7)5(4)8;1-4-2-6(7)8-3-5(4)9(10)11;1-4-2-3-8-6(7)5(4)9(10)11;1-4-2-6(9)7-3-5(4)8(10)11;1-4-2-3-7-6(9)5(4)8(10)11;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-5-2-3-7-6(8)4-5/h2*2-3H,1H3;2-3H,8H2,1H3;2*2-3H,1H3,(H2,7,8);2*2-3H,1H3,(H,7,9);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8)
• InChIKey: GNTPIYAFHDSAHJ-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 577.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 6
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1427.68
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

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-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one?

The IUPAC name of 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one (CID 158311811) is 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one.

What is the SMILES notation for 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one?

The canonical SMILES for 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1[N+](=O)[O-].Cc1cc(Cl)ncc1[N+](=O)[O-].Cc1cc(N)ncc1[N+](=O)[O-].Cc1cc[nH]c(=O)c1.Cc1cc[nH]c(=O)c1[N+](=O)[O-].Cc1ccnc(Cl)c1N.Cc1ccnc(Cl)c1[N+](=O)[O-].Cc1ccnc(N)c1.Cc1ccnc(N)c1[N+](=O)[O-].Cc1ccncc1N.

What is the InChIKey of 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one?

The InChIKey is GNTPIYAFHDSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5ClN2O2.C6H7ClN2.2C6H7N3O2.2C6H6N2O3.2C6H8N2.C6H7NO/c1-4-2-6(7)8-3-5(4)9(10)11;1-4-2-3-8-6(7)5(4)9(10)11;1-4-2-3-9-6(7)5(4)8;1-4-2-6(7)8-3-5(4)9(10)11;1-4-2-3-8-6(7)5(4)9(10)11;1-4-2-6(9)7-3-5(4)8(10)11;1-4-2-3-7-6(9)5(4)8(10)11;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-5-2-3-7-6(8)4-5/h2*2-3H,1H3;2-3H,8H2,1H3;2*2-3H,1H3,(H2,7,8);2*2-3H,1H3,(H,7,9);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8).

What are the key properties of 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one?

2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one has a molecular weight of 1427.68 g/mol, XLogP of 11.10, 6 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 158311811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).