2-chloro-5-(methoxymethyl)pyridine

• ChemBase ID: 238466
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: n1c(Cl)ccc(c1)COC
• Canonical SMILES: COCc1ccc(nc1)Cl
• InChI: InChI=1S/C7H8ClNO/c1-10-5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
• InChIKey: VVRPVKDXGLLBDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(methoxymethyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(methoxymethyl)pyridine
• Synonyms: 2-chloro-5-(methoxymethyl)pyridine

Database IDs

• MDL Number: MFCD09802660
• PubChem SID: 164294376
• PubChem CID: 19010921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.455565
• LogD (pH = 7.4): 1.4555719
• Log P: 1.455572
• Molar Refractivity: 41.3343 cm^3
• Polarizability: 15.74514 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.24

Product Information

• Purity: 95%