6-hydroxypyridine-3-carboxamide

• ChemBase ID: 252770
• Molecular Formular: C6H6N2O2
• Molecular Mass: 138.12404
• Monoisotopic Mass: 138.04292744
• SMILES: c1(C(=O)N)cnc(cc1)O
• Canonical SMILES: Oc1ccc(cn1)C(=O)N
• InChI: InChI=1S/C6H6N2O2/c7-6(10)4-1-2-5(9)8-3-4/h1-3H,(H2,7,10)(H,8,9)
• InChIKey: NGPNYDVHEUXWIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydroxypyridine-3-carboxamide
• IUPAC Traditional name: 6-hydroxypyridine-3-carboxamide
• Synonyms: 6-hydroxynicotinamide

Database IDs

• CAS Number: 3670-59-5
• MDL Number: MFCD08691126
• PubChem SID: 164308680
• PubChem CID: 72925

CALCULATED PROPERTIES

• Acid pKa: 10.307622
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.10291046
• LogD (pH = 7.4): -0.103423946
• Log P: -0.102894105
• Molar Refractivity: 35.2739 cm^3
• Polarizability: 12.935869 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 316 - 318°C
• Hydrophobicity(logP): -1.535

Product Information

• Purity: 95%