5,6-dichloro-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 261657
• Molecular Formular: C8H8Cl2N2O
• Molecular Mass: 219.06792
• Monoisotopic Mass: 218.00136825
• SMILES: c1(C(=O)N(C)C)cc(c(nc1)Cl)Cl
• Canonical SMILES: CN(C(=O)c1cnc(c(c1)Cl)Cl)C
• InChI: InChI=1S/C8H8Cl2N2O/c1-12(2)8(13)5-3-6(9)7(10)11-4-5/h3-4H,1-2H3
• InChIKey: NPXZDWHQMPNDEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dichloro-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 5,6-dichloro-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 5,6-dichloro-N,N-dimethylpyridine-3-carboxamide

Database IDs

• MDL Number: MFCD09802516
• PubChem SID: 164317567
• PubChem CID: 20115657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4818323
• LogD (pH = 7.4): 1.4818324
• Log P: 1.4818324
• Molar Refractivity: 53.4438 cm^3
• Polarizability: 19.909393 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 0.862

Product Information

• Purity: 95%