2-chloro-N,N-dimethylpyridine-4-carboxamide

• ChemBase ID: 273796
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=O)(c1cc(ncc1)Cl)N(C)C
• Canonical SMILES: Clc1nccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-3-4-10-7(9)5-6/h3-5H,1-2H3
• InChIKey: WSLAJZPKKCKUDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-dimethylpyridine-4-carboxamide
• IUPAC Traditional name: 2-chloro-N,N-dimethylpyridine-4-carboxamide
• Synonyms: 2-chloro-N,N-dimethylpyridine-4-carboxamide

Database IDs

• MDL Number: MFCD03411707
• PubChem SID: 164329706
• PubChem CID: 2762499

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8777871
• LogD (pH = 7.4): 0.87778765
• Log P: 0.87778765
• Molar Refractivity: 48.639 cm^3
• Polarizability: 17.921143 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.256

Product Information

• Purity: 95%