2-chloro-4-methoxy-5-pyridin-3-ylpyridine

C11H9ClN2O — CID 175166261

IUPAC2-chloro-4-methoxy-5-pyridin-3-ylpyridine
SMILESCOc1cc(Cl)ncc1-c1cccnc1
InChIInChI=1S/C11H9ClN2O/c1-15-10-5-11(12)14-7-9(10)8-3-2-4-13-6-8/h2-7H,1H3
InChIKeyAYAZPTDFLHKFDS-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.81
Rot. Bonds2

About 2-chloro-4-methoxy-5-pyridin-3-ylpyridine

2-chloro-4-methoxy-5-pyridin-3-ylpyridine (PubChem CID 175166261) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-pyridin-3-ylpyridine
PubChem CID175166261
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-4-methoxy-5-pyridin-3-ylpyridine
SMILESCOc1cc(Cl)ncc1-c1cccnc1
InChIInChI=1S/C11H9ClN2O/c1-15-10-5-11(12)14-7-9(10)8-3-2-4-13-6-8/h2-7H,1H3
InChIKeyAYAZPTDFLHKFDS-UHFFFAOYSA-N
XLogP2.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methoxy-5-pyridin-3-ylpyridine 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-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
3-(2-methoxyphenyl)pyridine
CID 4133297
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
3-(5-ethoxy-2-methoxy-4-methylphenyl)pyridine
CID 159955267
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
3-[2-(4-chloro-2-methoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]pyridine
CID 10470985
5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
CID 140925375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-pyridin-3-ylpyridine?
The IUPAC name of 2-chloro-4-methoxy-5-pyridin-3-ylpyridine (CID 175166261) is 2-chloro-4-methoxy-5-pyridin-3-ylpyridine.
What is the SMILES notation for 2-chloro-4-methoxy-5-pyridin-3-ylpyridine?
The canonical SMILES for 2-chloro-4-methoxy-5-pyridin-3-ylpyridine is COc1cc(Cl)ncc1-c1cccnc1.
What is the InChIKey of 2-chloro-4-methoxy-5-pyridin-3-ylpyridine?
The InChIKey is AYAZPTDFLHKFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-15-10-5-11(12)14-7-9(10)8-3-2-4-13-6-8/h2-7H,1H3.
What are the key properties of 2-chloro-4-methoxy-5-pyridin-3-ylpyridine?
2-chloro-4-methoxy-5-pyridin-3-ylpyridine has a molecular weight of 220.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-pyridin-3-ylpyridine is sourced from PubChem (CID 175166261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).