5-chloro-N,2-dihydroxybenzamide

• ChemBase ID: 84299
• Molecular Formular: C7H6ClNO3
• Molecular Mass: 187.58044
• Monoisotopic Mass: 187.00362074
• SMILES: O=C(c1cc(ccc1O)Cl)NO
• Canonical SMILES: Oc1ccc(cc1C(=O)NO)Cl
• InChI: InChI=1S/C7H6ClNO3/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11)
• InChIKey: VGDCRPRQQPVICX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N,2-dihydroxybenzamide
• IUPAC Traditional name: 5-chloro-N,2-dihydroxybenzamide
• Synonyms: 5-chloro-N,2-dihydroxybenzamide

Database IDs

• CAS Number: 37551-43-2
• MDL Number: MFCD00203857
• PubChem SID: 162071415
• PubChem CID: 169935

CALCULATED PROPERTIES

• Acid pKa: 7.4914985
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.7668124
• LogD (pH = 7.4): 1.5155511
• Log P: 1.7711837
• Molar Refractivity: 43.6867 cm^3
• Polarizability: 16.401966 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true