2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine

C13H11ClN2O3 — CID 86633494

IUPAC2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine
SMILESCOc1ccc(C)cc1-c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-12(19-2)10(5-8)11-6-9(16(17)18)7-13(14)15-11/h3-7H,1-2H3
InChIKeyGAJSKNCWEKAGHZ-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.63
Rot. Bonds3

About 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine

2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine (PubChem CID 86633494) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine
PubChem CID86633494
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine
SMILESCOc1ccc(C)cc1-c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-12(19-2)10(5-8)11-6-9(16(17)18)7-13(14)15-11/h3-7H,1-2H3
InChIKeyGAJSKNCWEKAGHZ-UHFFFAOYSA-N
XLogP3.63
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
CID 114070923
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine
CID 114070928
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768889
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
2-(2-methoxy-5-methylphenyl)-4-nitrobenzoic acid
CID 53226249
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
6-chloro-N-(2-fluoro-5-methylphenyl)-4-nitropyridin-2-amine
CID 114070777
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
CID 114070936
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
2-chloro-6-(4-chloro-2-methylphenoxy)-4-nitropyridine
CID 114070725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine (CID 86633494) is 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine is COc1ccc(C)cc1-c1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine?
The InChIKey is GAJSKNCWEKAGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-3-4-12(19-2)10(5-8)11-6-9(16(17)18)7-13(14)15-11/h3-7H,1-2H3.
What are the key properties of 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine?
2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine has a molecular weight of 278.70 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine is sourced from PubChem (CID 86633494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).