pyrido[2,3-b]pyrazine-6-carbaldehyde

• ChemBase ID: 113986
• Molecular Formular: C8H5N3O
• Molecular Mass: 159.1448
• Monoisotopic Mass: 159.0432618
• SMILES: n1c2nccnc2ccc1C=O
• Canonical SMILES: O=Cc1ccc2c(n1)nccn2
• InChI: InChI=1S/C8H5N3O/c12-5-6-1-2-7-8(11-6)10-4-3-9-7/h1-5H
• InChIKey: FQVPEJDAEZBQRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrido[2,3-b]pyrazine-6-carbaldehyde
• IUPAC Traditional name: pyrido[2,3-b]pyrazine-6-carbaldehyde
• Synonyms: Pyrido[2,3-b]pyrazine-6-carbaldehyde

Database IDs

• CAS Number: 874279-16-0
• MDL Number: MFCD09863856
• PubChem SID: 162098853
• PubChem CID: 11542824

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7932337
• LogD (pH = 7.4): 0.79345316
• Log P: 0.79345596
• Molar Refractivity: 43.0651 cm^3
• Polarizability: 16.393894 Å^3
• Polar Surface Area: 55.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.34706

Product Information

• Purity: 95+%