6-methylpyridine-2-carbonyl chloride hydrochloride

• ChemBase ID: 89315
• Molecular Formular: C7H7Cl2NO
• Molecular Mass: 192.04258
• Monoisotopic Mass: 190.99046921
• SMILES: n1c(cccc1C)C(=O)Cl.Cl
• Canonical SMILES: Cc1cccc(n1)C(=O)Cl.Cl
• InChI: InChI=1S/C7H6ClNO.ClH/c1-5-3-2-4-6(9-5)7(8)10;/h2-4H,1H3;1H
• InChIKey: GQLUZDNHRAZQQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridine-2-carbonyl chloride hydrochloride
• IUPAC Traditional name: 6-methylpyridine-2-carbonyl chloride hydrochloride
• Synonyms: 2-(Chlorocarbonyl)-6-methylpyridine hydrochloride; 6-Methylpicolinoyl chloride hydrochloride; 6-Methylpyridine-2-carbonyl chloride hydrochloride

Database IDs

• CAS Number: 60373-34-4
• MDL Number: MFCD13196177
• PubChem SID: 162076196
• PubChem CID: 45792428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4632876
• LogD (pH = 7.4): 1.4637011
• Log P: 1.4637065
• Molar Refractivity: 39.2353 cm^3
• Polarizability: 14.981998 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120(dec.)°C
• Hydrophobicity(logP): 0.568

Safety Information

• Storage Warning: Corrosive/Harmful/Moisture Sensitive/Store under Argon

Product Information

• Purity: 95%