2-amino-N-(5-chloropyridin-2-yl)benzamide

• ChemBase ID: 259270
• Molecular Formular: C12H10ClN3O
• Molecular Mass: 247.6803
• Monoisotopic Mass: 247.05123964
• SMILES: C(=O)(c1c(N)cccc1)Nc1ncc(Cl)cc1
• Canonical SMILES: Clc1ccc(nc1)NC(=O)c1ccccc1N
• InChI: InChI=1S/C12H10ClN3O/c13-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,15,16,17)
• InChIKey: JDPZZANVLDNJOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11184859
• PubChem SID: 164315180
• PubChem CID: 21906381

CALCULATED PROPERTIES

• Acid pKa: 10.394629
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8668792
• LogD (pH = 7.4): 2.866615
• Log P: 2.8670344
• Molar Refractivity: 69.2533 cm^3
• Polarizability: 25.075413 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 2.502

Product Information

• Purity: 95%