3,4-dichloro-2-methylpyridine

• ChemBase ID: 237768
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: c1(c(nccc1Cl)C)Cl
• Canonical SMILES: Clc1c(Cl)ccnc1C
• InChI: InChI=1S/C6H5Cl2N/c1-4-6(8)5(7)2-3-9-4/h2-3H,1H3
• InChIKey: RKTIAZVXWYFNJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-2-methylpyridine
• IUPAC Traditional name: 3,4-dichloro-2-methylpyridine
• Synonyms: 3,4-dichloro-2-methylpyridine

Database IDs

• MDL Number: MFCD09839289
• PubChem SID: 164293678
• PubChem CID: 21922890

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.09205
• LogD (pH = 7.4): 2.0949953
• Log P: 2.095033
• Molar Refractivity: 38.1022 cm^3
• Polarizability: 15.026025 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.563

Product Information

• Purity: 95%