5-aminopyridine-2-carboxylic acid

• ChemBase ID: 61626
• Molecular Formular: C6H6N2O2
• Molecular Mass: 138.12404
• Monoisotopic Mass: 138.04292744
• SMILES: c1(ccc(cn1)N)C(=O)O
• Canonical SMILES: Nc1ccc(nc1)C(=O)O
• InChI: InChI=1S/C6H6N2O2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,7H2,(H,9,10)
• InChIKey: WDJARUKOMOGTHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridine-2-carboxylic acid
• IUPAC Traditional name: 5-aminopyridine-2-carboxylic acid; 5-aminopicolinic acid
• Synonyms: 5-Aminopyridine-2-carboxylic Acid; 5-Aminopicolinic Acid; 5-Amino-2-pyridinecarboxylic acid; 5-Aminopicolinic acid; 5-Amino-2-carboxypyridine; 5-Aminopyridine-2-carboxylic acid; 5-Aminopyridine-2-carboxylic acid; 5-氨基吡啶-2-羧酸

Database IDs

• CAS Number: 24242-20-4; 1462-86-8
• MDL Number: MFCD02684600
• PubChem SID: 162027367
• PubChem CID: 4179726

CALCULATED PROPERTIES

• Acid pKa: 1.4145772
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6626841
• LogD (pH = 7.4): -3.036351
• Log P: -1.4436703
• Molar Refractivity: 35.4857 cm^3
• Polarizability: 12.964438 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Ethanol; Methanol
• Apperance: Off-White to Lght Brown Solid
• Melting Point: 216-218°C; 216-219°C; 217-219°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%; 98%

DETAILS

Toronto Research Chemicals - A627810

A useful synthetic intermediate.