2-aminoquinoline-5-carboxylic acid

• ChemBase ID: 289891
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: O=C(c1c2ccc(N)nc2ccc1)O
• Canonical SMILES: Nc1ccc2c(n1)cccc2C(=O)O
• InChI: InChI=1S/C10H8N2O2/c11-9-5-4-6-7(10(13)14)2-1-3-8(6)12-9/h1-5H,(H2,11,12)(H,13,14)
• InChIKey: HSEMCEKQBCNCGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoquinoline-5-carboxylic acid
• IUPAC Traditional name: 2-aminoquinoline-5-carboxylic acid
• Synonyms: 2-Aminoquinoline-5-carboxylic acid

Database IDs

• CAS Number: 496806-75-8
• PubChem SID: 180675422
• PubChem CID: 33778597

CALCULATED PROPERTIES

• Acid pKa: 1.4390838
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.47916326
• LogD (pH = 7.4): -1.40689
• Log P: -0.42188922
• Molar Refractivity: 52.2494 cm^3
• Polarizability: 20.401932 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%