6-aminopyridine-3-carboxamide

• ChemBase ID: 90643
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: n1cc(ccc1N)C(=O)N
• Canonical SMILES: Nc1ccc(cn1)C(=O)N
• InChI: InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
• InChIKey: ZLWYEPMDOUQDBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-3-carboxamide
• IUPAC Traditional name: 6-aminonicotinamide
• Synonyms: 6-Aminopyridine-3-carboxamide; 6-Aminonicotinamide 97%; 6-Aminonicotinamide; 6-AMINONICOTINAMIDE; 6-氨基-3-吡啶甲酰胺; 6-氨基烟酰胺

Database IDs

• CAS Number: 329-89-5
• EC Number: 206-349-7
• MDL Number: MFCD00006327
• Beilstein Number: 116042
• PubChem SID: 24891142; 24846224; 162077422
• PubChem CID: 9500

CALCULATED PROPERTIES

• Acid pKa: 14.210401
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8216505
• LogD (pH = 7.4): -0.6313684
• Log P: -0.6282547
• Molar Refractivity: 37.9934 cm^3
• Polarizability: 13.436624 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245-248 °C(lit.); 245-248°C; 246-248 °C; 246-248°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Toxic
• RTECS: US4550000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61
• Safety Statements: 53-36-45; 53-45
• TSCA Listed: 否
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360
• GHS Precautionary statements: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: ≥99.0% (NT); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H7N3O

DETAILS

MP Biomedicals - 02150103

Crystalline

Sigma Aldrich - A68203

Packaging
1, 5 g in glass bottle