pyrido[2,3-b]pyrazine-7-carboxylic acid

• ChemBase ID: 90960
• Molecular Formular: C8H5N3O2
• Molecular Mass: 175.1442
• Monoisotopic Mass: 175.03817642
• SMILES: n1c2nccnc2cc(c1)C(=O)O
• Canonical SMILES: OC(=O)c1cc2nccnc2nc1
• InChI: InChI=1S/C8H5N3O2/c12-8(13)5-3-6-7(11-4-5)10-2-1-9-6/h1-4H,(H,12,13)
• InChIKey: SMPGSEFDPLFZJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrido[2,3-b]pyrazine-7-carboxylic acid
• IUPAC Traditional name: pyrido[2,3-b]pyrazine-7-carboxylic acid
• Synonyms: Pyrido[2,3-b]pyrazine-7-carboxylic acid 97%

Database IDs

• MDL Number: MFCD06496468
• PubChem SID: 162077664
• PubChem CID: 4739097

CALCULATED PROPERTIES

• Acid pKa: 3.6815393
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7526654
• LogD (pH = 7.4): -3.2488306
• Log P: 0.0639934
• Molar Refractivity: 44.1225 cm^3
• Polarizability: 16.859564 Å^3
• Polar Surface Area: 75.97 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true