3,5-dichloropyridine-2-carboxamide

• ChemBase ID: 292601
• Molecular Formular: C6H4Cl2N2O
• Molecular Mass: 191.01476
• Monoisotopic Mass: 189.97006812
• SMILES: NC(=O)c1ncc(Cl)cc1Cl
• Canonical SMILES: Clc1cnc(c(c1)Cl)C(=O)N
• InChI: InChI=1S/C6H4Cl2N2O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,(H2,9,11)
• InChIKey: QIRSAVRBVNYEMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloropyridine-2-carboxamide
• IUPAC Traditional name: 3,5-dichloropyridine-2-carboxamide
• Synonyms: 3,5-Dichloropicolinamide

Database IDs

• CAS Number: 5468-71-3
• PubChem SID: 180678132
• PubChem CID: 225522

CALCULATED PROPERTIES

• Acid pKa: 12.77413
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2001534
• LogD (pH = 7.4): 1.200155
• Log P: 1.2001534
• Molar Refractivity: 42.2171 cm^3
• Polarizability: 16.22993 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%