2-chloro-5-methoxy-4-methylpyridine

• ChemBase ID: 240823
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: n1c(cc(c(c1)OC)C)Cl
• Canonical SMILES: Cc1cc(Cl)ncc1OC
• InChI: InChI=1S/C7H8ClNO/c1-5-3-7(8)9-4-6(5)10-2/h3-4H,1-2H3
• InChIKey: HZOALMODRBCKBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methoxy-4-methylpyridine
• IUPAC Traditional name: 2-chloro-5-methoxy-4-methylpyridine
• Synonyms: 2-chloro-5-methoxy-4-methylpyridine

Database IDs

• MDL Number: MFCD16610593
• PubChem SID: 164296733
• PubChem CID: 71756640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9354957
• LogD (pH = 7.4): 1.9355447
• Log P: 1.9355453
• Molar Refractivity: 41.2716 cm^3
• Polarizability: 15.656676 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.318

Product Information

• Purity: 95%