2-chloro-3-(3,4-dimethoxyphenyl)pyridine

C13H12ClNO2 — CID 82087270

IUPAC2-chloro-3-(3,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccnc2Cl)cc1OC
InChIInChI=1S/C13H12ClNO2/c1-16-11-6-5-9(8-12(11)17-2)10-4-3-7-15-13(10)14/h3-8H,1-2H3
InChIKeyQGCSDYKEMCIZRX-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-3-(3,4-dimethoxyphenyl)pyridine

2-chloro-3-(3,4-dimethoxyphenyl)pyridine (PubChem CID 82087270) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-3-(3,4-dimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(3,4-dimethoxyphenyl)pyridine
PubChem CID82087270
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-chloro-3-(3,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccnc2Cl)cc1OC
InChIInChI=1S/C13H12ClNO2/c1-16-11-6-5-9(8-12(11)17-2)10-4-3-7-15-13(10)14/h3-8H,1-2H3
InChIKeyQGCSDYKEMCIZRX-UHFFFAOYSA-N
XLogP3.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-(3,4-dimethoxyphenyl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

[3-(3,4-dimethoxyphenyl)-2-pyridinyl]methanol
CID 54504327
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
[2-(3,4-dimethoxyphenyl)-3-pyridinyl]methanol
CID 54102100
5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
CID 68946720
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,4-dimethoxyphenyl)pyridine?
The IUPAC name of 2-chloro-3-(3,4-dimethoxyphenyl)pyridine (CID 82087270) is 2-chloro-3-(3,4-dimethoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-3-(3,4-dimethoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-3-(3,4-dimethoxyphenyl)pyridine is COc1ccc(-c2cccnc2Cl)cc1OC.
What is the InChIKey of 2-chloro-3-(3,4-dimethoxyphenyl)pyridine?
The InChIKey is QGCSDYKEMCIZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-16-11-6-5-9(8-12(11)17-2)10-4-3-7-15-13(10)14/h3-8H,1-2H3.
What are the key properties of 2-chloro-3-(3,4-dimethoxyphenyl)pyridine?
2-chloro-3-(3,4-dimethoxyphenyl)pyridine has a molecular weight of 249.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3,4-dimethoxyphenyl)pyridine is sourced from PubChem (CID 82087270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).