N-hydroxypyridine-3-carboxamide

• ChemBase ID: 112699
• Molecular Formular: C6H6N2O2
• Molecular Mass: 138.12404
• Monoisotopic Mass: 138.04292744
• SMILES: ONC(=O)c1cccnc1
• Canonical SMILES: ONC(=O)c1cccnc1
• InChI: InChI=1S/C6H6N2O2/c9-6(8-10)5-2-1-3-7-4-5/h1-4,10H,(H,8,9)
• InChIKey: IYCHDNQCHLMLJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxypyridine-3-carboxamide
• IUPAC Traditional name: nicoxamat
• Synonyms: NICOTINYL HYDROXAMIC ACID; Nicotinic acid hydroxamate

Database IDs

• CAS Number: 5657-61-4
• MDL Number: MFCD00033801
• PubChem SID: 24897905; 162097476
• PubChem CID: 71211

CALCULATED PROPERTIES

• Acid pKa: 9.299894
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4008808
• LogD (pH = 7.4): -0.40231332
• Log P: -0.39696804
• Molar Refractivity: 34.7441 cm^3
• Polarizability: 12.944796 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: US4666100
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

DETAILS

MP Biomedicals - 05225354

MP Biomedicals Rare Chemical collection