4-chloro-3-methoxy-2-methylpyridine

• ChemBase ID: 235485
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(c(nccc1Cl)C)OC
• Canonical SMILES: COc1c(Cl)ccnc1C
• InChI: InChI=1S/C7H8ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-4H,1-2H3
• InChIKey: RYGXNMUVOHCPBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-methoxy-2-methylpyridine
• IUPAC Traditional name: 4-chloro-3-methoxy-2-methylpyridine
• Synonyms: 4-chloro-3-methoxy-2-methylpyridine

Database IDs

• MDL Number: MFCD16610605
• PubChem SID: 164291395
• PubChem CID: 10583046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2515601
• LogD (pH = 7.4): 1.3321774
• Log P: 1.3333169
• Molar Refractivity: 39.7606 cm^3
• Polarizability: 15.625991 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.088

Product Information

• Purity: 95%