2-(2-chloro-4-methoxyphenyl)-3-methylpyridine

C13H12ClNO — CID 42624977

IUPAC2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
SMILESCOc1ccc(-c2ncccc2C)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-9-4-3-7-15-13(9)11-6-5-10(16-2)8-12(11)14/h3-8H,1-2H3
InChIKeyFKXFVEOTYSYGLW-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.72
Rot. Bonds2

About 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine

2-(2-chloro-4-methoxyphenyl)-3-methylpyridine (PubChem CID 42624977) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
PubChem CID42624977
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
SMILESCOc1ccc(-c2ncccc2C)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-9-4-3-7-15-13(9)11-6-5-10(16-2)8-12(11)14/h3-8H,1-2H3
InChIKeyFKXFVEOTYSYGLW-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine (CID 42624977) is 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine is COc1ccc(-c2ncccc2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine?
The InChIKey is FKXFVEOTYSYGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-4-3-7-15-13(9)11-6-5-10(16-2)8-12(11)14/h3-8H,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine?
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine has a molecular weight of 233.70 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-3-methylpyridine is sourced from PubChem (CID 42624977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).