2-chloro-5-methoxypyridine

• ChemBase ID: 262605
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: n1c(Cl)ccc(c1)OC
• Canonical SMILES: COc1ccc(nc1)Cl
• InChI: InChI=1S/C6H6ClNO/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
• InChIKey: ZXGHKJHRHVDMSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methoxypyridine
• IUPAC Traditional name: 2-chloro-5-methoxypyridine
• Synonyms: 2-chloro-5-methoxypyridine

Database IDs

• CAS Number: 139585-48-1
• MDL Number: MFCD06659513
• PubChem SID: 164318515
• PubChem CID: 15169000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4221188
• LogD (pH = 7.4): 1.4221239
• Log P: 1.422124
• Molar Refractivity: 36.2304 cm^3
• Polarizability: 13.900126 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.819

Product Information

• Purity: 95%; 98%