5-amino-2-chloro-N-(pyridin-2-yl)benzamide

• ChemBase ID: 124381
• Molecular Formular: C12H10ClN3O
• Molecular Mass: 247.6803
• Monoisotopic Mass: 247.05123964
• SMILES: c1(C(=O)Nc2ncccc2)c(ccc(c1)N)Cl
• Canonical SMILES: Nc1ccc(c(c1)C(=O)Nc1ccccn1)Cl
• InChI: InChI=1S/C12H10ClN3O/c13-10-5-4-8(14)7-9(10)12(17)16-11-3-1-2-6-15-11/h1-7H,14H2,(H,15,16,17)
• InChIKey: KFUGTBDDJQKXBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-chloro-N-(pyridin-2-yl)benzamide
• IUPAC Traditional name: 5-amino-2-chloro-N-(pyridin-2-yl)benzamide
• Synonyms: 5-amino-2-chloro-N-(pyridin-2-yl)benzamide

Database IDs

• PubChem SID: 162218734
• PubChem CID: 16775619

CALCULATED PROPERTIES

• Acid pKa: 9.972231
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2159655
• LogD (pH = 7.4): 2.2159083
• Log P: 2.2170343
• Molar Refractivity: 69.2533 cm^3
• Polarizability: 25.06789 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true