4-chloro-3-methoxypyridine

• ChemBase ID: 814645
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: n1cc(c(cc1)Cl)OC
• Canonical SMILES: COc1cnccc1Cl
• InChI: InChI=1S/C6H6ClNO/c1-9-6-4-8-3-2-5(6)7/h2-4H,1H3
• InChIKey: DICAQTPGOQCCOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 96628-70-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1906862
• LogD (pH = 7.4): 1.2018027
• Log P: 1.2019469
• Molar Refractivity: 35.1691 cm^3
• Polarizability: 13.868195 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%