5-(chloromethyl)-2-methoxypyridine

• ChemBase ID: 180481
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(ccc(cn1)CCl)OC
• Canonical SMILES: ClCc1ccc(nc1)OC
• InChI: InChI=1S/C7H8ClNO/c1-10-7-3-2-6(4-8)5-9-7/h2-3,5H,4H2,1H3
• InChIKey: YNCJGPOTUFPVTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-2-methoxypyridine
• IUPAC Traditional name: 5-(chloromethyl)-2-methoxypyridine
• Synonyms: 5-(chloromethyl)-2-methoxypyridine

Database IDs

• CAS Number: 101990-70-9
• MDL Number: MFCD10697570
• PubChem SID: 164236391
• PubChem CID: 13752891

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7790407
• LogD (pH = 7.4): 1.7795947
• Log P: 1.7796017
• Molar Refractivity: 40.5447 cm^3
• Polarizability: 15.628563 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.027

Product Information

• Purity: 95%; 95+%; 98%