4-chloro-2,6-dimethylpyridine

• ChemBase ID: 67628
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(cc(cc(n1)C)Cl)C
• Canonical SMILES: Clc1cc(C)nc(c1)C
• InChI: InChI=1S/C7H8ClN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
• InChIKey: SXCXPXVEOPFPOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,6-dimethylpyridine
• IUPAC Traditional name: 4-chloro-2,6-dimethylpyridine
• Synonyms: 4-Chloro-2,6-dimethylpyridine

Database IDs

• CAS Number: 3512-75-2
• MDL Number: MFCD01646174
• PubChem SID: 162033363
• PubChem CID: 588175

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3494719
• LogD (pH = 7.4): 1.6175526
• Log P: 1.6223584
• Molar Refractivity: 37.8889 cm^3
• Polarizability: 14.826731 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95+%; 97%; 98%