2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine

C28H26Cl6N10O2 — CID 159014474

About 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine

2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine (PubChem CID 159014474) has the molecular formula C28H26Cl6N10O2 and a molecular weight of 747.30 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine
• PubChem CID: 159014474
• Molecular Formula: C28H26Cl6N10O2
• Molecular Weight: 747.30 g/mol
• Exact Mass: 744.04
• IUPAC Name: 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine
• SMILES: Cc1ccc(N)c(C)n1.Cc1ccc(Nc2nc(Cl)ncc2Cl)c(C)n1.Cc1ccc([N+](=O)[O-])c(Cl)n1.Clc1ncc(Cl)c(Cl)n1
• InChI: InChI=1S/C11H10Cl2N4.C7H10N2.C6H5ClN2O2.C4HCl3N2/c1-6-3-4-9(7(2)15-6)16-10-8(12)5-14-11(13)17-10;1-5-3-4-7(8)6(2)9-5;1-4-2-3-5(9(10)11)6(7)8-4;5-2-1-8-4(7)9-3(2)6/h3-5H,1-2H3,(H,14,16,17);3-4H,8H2,1-2H3;2-3H,1H3;1H
• InChIKey: JSXKIGHJCDAPSC-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 171.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.30
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine?

The IUPAC name of 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine (CID 159014474) is 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine.

What is the SMILES notation for 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine?

The canonical SMILES for 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine is Cc1ccc(N)c(C)n1.Cc1ccc(Nc2nc(Cl)ncc2Cl)c(C)n1.Cc1ccc([N+](=O)[O-])c(Cl)n1.Clc1ncc(Cl)c(Cl)n1.

What is the InChIKey of 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine?

The InChIKey is JSXKIGHJCDAPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4.C7H10N2.C6H5ClN2O2.C4HCl3N2/c1-6-3-4-9(7(2)15-6)16-10-8(12)5-14-11(13)17-10;1-5-3-4-7(8)6(2)9-5;1-4-2-3-5(9(10)11)6(7)8-4;5-2-1-8-4(7)9-3(2)6/h3-5H,1-2H3,(H,14,16,17);3-4H,8H2,1-2H3;2-3H,1H3;1H.

What are the key properties of 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine?

2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine has a molecular weight of 747.30 g/mol, XLogP of 9.21, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine is sourced from PubChem (CID 159014474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).