6-chloro-3-methoxy-2-methylpyridine

• ChemBase ID: 815631
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: n1c(c(ccc1Cl)OC)C
• Canonical SMILES: Cc1nc(Cl)ccc1OC
• InChI: InChI=1S/C7H8ClNO/c1-5-6(10-2)3-4-7(8)9-5/h3-4H,1-2H3
• InChIKey: AGBIPADIJRZWJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methoxy-2-methylpyridine
• IUPAC Traditional name: 6-chloro-3-methoxy-2-methylpyridine
• Synonyms: 6-chloro-3-methoxy-2-methylpyridine

Database IDs

• CAS Number: 129692-13-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5534497
• LogD (pH = 7.4): 1.5534936
• Log P: 1.5534941
• Molar Refractivity: 40.8219 cm^3
• Polarizability: 15.658146 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%