2-chloro-6-(2-methoxyphenyl)-4-nitropyridine

C12H9ClN2O3 — CID 114070923

IUPAC2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
SMILESCOc1ccccc1-c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H9ClN2O3/c1-18-11-5-3-2-4-9(11)10-6-8(15(16)17)7-12(13)14-10/h2-7H,1H3
InChIKeyCUSWNIHRDQIIER-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine

2-chloro-6-(2-methoxyphenyl)-4-nitropyridine (PubChem CID 114070923) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
PubChem CID114070923
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
SMILESCOc1ccccc1-c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H9ClN2O3/c1-18-11-5-3-2-4-9(11)10-6-8(15(16)17)7-12(13)14-10/h2-7H,1H3
InChIKeyCUSWNIHRDQIIER-UHFFFAOYSA-N
XLogP3.32
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 53.32
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-methoxy-5-methylphenyl)-4-nitropyridine
CID 86633494
2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine
CID 114070928
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
CID 114070936
2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234050
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234073
methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
6-chloro-N-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
CID 114070707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine (CID 114070923) is 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine is COc1ccccc1-c1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine?
The InChIKey is CUSWNIHRDQIIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-18-11-5-3-2-4-9(11)10-6-8(15(16)17)7-12(13)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-6-(2-methoxyphenyl)-4-nitropyridine?
2-chloro-6-(2-methoxyphenyl)-4-nitropyridine has a molecular weight of 264.67 g/mol, XLogP of 3.32, 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-methoxyphenyl)-4-nitropyridine is sourced from PubChem (CID 114070923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).