4-chloro-N-methylpyridine-2-carboxamide hydrochloride

• ChemBase ID: 164628
• Molecular Formular: C7H8Cl2N2O
• Molecular Mass: 207.05722
• Monoisotopic Mass: 206.00136825
• SMILES: Clc1ccnc(c1)C(=O)NC.Cl
• Canonical SMILES: CNC(=O)c1cc(Cl)ccn1.Cl
• InChI: InChI=1S/C7H7ClN2O.ClH/c1-9-7(11)6-4-5(8)2-3-10-6;/h2-4H,1H3,(H,9,11);1H
• InChIKey: XGHILPUCRYAWIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-methylpyridine-2-carboxamide hydrochloride
• IUPAC Traditional name: 4-chloro-N-methylpyridine-2-carboxamide hydrochloride
• Synonyms: 4-Chloro-N-methyl-2-pyridinecarboxamide Hydrochloride; 4-Chloro-N-methylpicolinamide Hydrochloride; 4-Chloropyridine-2-carboxylic Acid Methylamide Monohydrochloride; 4-Chloro-N-methylpyridine-2-carboxamide Hydrochloride

Database IDs

• CAS Number: 882167-77-3
• PubChem SID: 162258763
• PubChem CID: 46781006

CALCULATED PROPERTIES

• Acid pKa: 14.075273
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81978303
• LogD (pH = 7.4): 0.81978464
• Log P: 0.81978476
• Molar Refractivity: 42.309 cm^3
• Polarizability: 16.043402 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Pale Yellow Solid
• Melting Point: 144-146°C

Safety Information

• Storage Condition: Refrigerator