3-aminopyridine-2-carboxylic acid hydrochloride

• ChemBase ID: 293315
• Molecular Formular: C6H7ClN2O2
• Molecular Mass: 174.58498
• Monoisotopic Mass: 174.01960515
• SMILES: O=C(O)c1ncccc1N.Cl
• Canonical SMILES: OC(=O)c1ncccc1N.Cl
• InChI: InChI=1S/C6H6N2O2.ClH/c7-4-2-1-3-8-5(4)6(9)10;/h1-3H,7H2,(H,9,10);1H
• InChIKey: NAQQISNLIGXEAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyridine-2-carboxylic acid hydrochloride
• IUPAC Traditional name: 3-aminopicolinic acid hydrochloride
• Synonyms: 3-Aminopicolinic acid hydrochloride

Database IDs

• PubChem SID: 180678846
• PubChem CID: 71627130

CALCULATED PROPERTIES

• Acid pKa: 1.7295625
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.81893003
• LogD (pH = 7.4): -2.1366763
• Log P: -0.6695627
• Molar Refractivity: 35.4857 cm^3
• Polarizability: 12.9661 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%