3-chloro-4-methoxypyridine

• ChemBase ID: 288149
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: COc1c(Cl)cncc1
• Canonical SMILES: COc1ccncc1Cl
• InChI: InChI=1S/C6H6ClNO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
• InChIKey: OFJIIJJCVDJQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-methoxypyridine
• IUPAC Traditional name: 3-chloro-4-methoxypyridine
• Synonyms: 3-Chloro-4-methoxypyridine

Database IDs

• CAS Number: 89379-79-3
• MDL Number: MFCD09743650
• PubChem SID: 180673680
• PubChem CID: 23436855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1204734
• LogD (pH = 7.4): 1.2007929
• Log P: 1.2019469
• Molar Refractivity: 35.1691 cm^3
• Polarizability: 13.876417 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%