4-chloro-2-methylpyridine

• ChemBase ID: 67408
• Molecular Formular: C6H6ClN
• Molecular Mass: 127.57154
• Monoisotopic Mass: 127.01887688
• SMILES: c1(cc(ccn1)Cl)C
• Canonical SMILES: Clc1ccnc(c1)C
• InChI: InChI=1S/C6H6ClN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
• InChIKey: DAOZBJCTEPJGES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylpyridine
• IUPAC Traditional name: 4-chloro-2-methylpyridine
• Synonyms: 2-Methyl-4-chloropyridine; 4-Chloro-2-methylpyridine; 4-Chloro-2-methyl-pyridine; 4-Chloro-2-picoline; 4-Chloro-2-picoline; 4-Chloro-2-methylpyridine

Database IDs

• CAS Number: 3678-62-4; 3678-63-5
• MDL Number: MFCD00038833
• PubChem SID: 162033143
• PubChem CID: 581392

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.427557
• LogD (pH = 7.4): 1.4901243
• Log P: 1.4909883
• Molar Refractivity: 33.2974 cm^3
• Polarizability: 13.064321 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Colorless Oil

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%