5-aminopyridine-2-carboxylic acid hydrochloride

• ChemBase ID: 812834
• Molecular Formular: C6H7ClN2O2
• Molecular Mass: 174.58498
• Monoisotopic Mass: 174.01960515
• SMILES: Cl.n1c(ccc(c1)N)C(=O)O
• Canonical SMILES: Nc1ccc(nc1)C(=O)O.Cl
• InChI: InChI=1S/C6H6N2O2.ClH/c7-4-1-2-5(6(9)10)8-3-4;/h1-3H,7H2,(H,9,10);1H
• InChIKey: QTFKQVVVLWEWSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridine-2-carboxylic acid hydrochloride
• IUPAC Traditional name: 5-aminopicolinic acid hydrochloride
• Synonyms: 5-AMINO-PYRIDINE-2-CARBOXYLIC ACID HCL

Database IDs

• CAS Number: 24242-20-4

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

Product Information

• Purity: 98%