2-amino-5-hydroxybenzamide

• ChemBase ID: 246301
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1(C(=O)N)c(ccc(c1)O)N
• Canonical SMILES: Oc1ccc(c(c1)C(=O)N)N
• InChI: InChI=1S/C7H8N2O2/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3,10H,8H2,(H2,9,11)
• InChIKey: XFIDBHAYACHAFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-hydroxybenzamide
• IUPAC Traditional name: 2-amino-5-hydroxybenzamide
• Synonyms: 2-amino-5-hydroxybenzamide

Database IDs

• MDL Number: MFCD14621979
• PubChem SID: 164302211
• PubChem CID: 12014920

CALCULATED PROPERTIES

• Acid pKa: 9.76182
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.33305815
• LogD (pH = 7.4): 0.33940175
• Log P: 0.34139484
• Molar Refractivity: 41.8177 cm^3
• Polarizability: 14.941874 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.204

Product Information

• Purity: 95%