3-chloro-5-(chloromethyl)-2-methoxypyridine

• ChemBase ID: 242144
• Molecular Formular: C7H7Cl2NO
• Molecular Mass: 192.04258
• Monoisotopic Mass: 190.99046921
• SMILES: n1c(c(cc(c1)CCl)Cl)OC
• Canonical SMILES: COc1ncc(cc1Cl)CCl
• InChI: InChI=1S/C7H7Cl2NO/c1-11-7-6(9)2-5(3-8)4-10-7/h2,4H,3H2,1H3
• InChIKey: UNCQLBTVVVCJFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(chloromethyl)-2-methoxypyridine
• IUPAC Traditional name: 3-chloro-5-(chloromethyl)-2-methoxypyridine
• Synonyms: 3-chloro-5-(chloromethyl)-2-methoxypyridine

Database IDs

• MDL Number: MFCD14607146
• PubChem SID: 164298054
• PubChem CID: 61258051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3836331
• LogD (pH = 7.4): 2.3836462
• Log P: 2.3836465
• Molar Refractivity: 45.3495 cm^3
• Polarizability: 17.596125 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.551

Product Information

• Purity: 95%