5-chloro-2-methoxy-4-methylpyridine

• ChemBase ID: 73669
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: n1c(cc(c(c1)Cl)C)OC
• Canonical SMILES: COc1ncc(c(c1)C)Cl
• InChI: InChI=1S/C7H8ClNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3
• InChIKey: OTGUAUPSFZGBPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07375094
• PubChem SID: 162038588
• PubChem CID: 23133646

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3097022
• LogD (pH = 7.4): 2.3098242
• Log P: 2.3098257
• Molar Refractivity: 40.5238 cm^3
• Polarizability: 15.611946 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-33°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon