pyrido[2,3-b]pyrazine-8-carbaldehyde

• ChemBase ID: 113989
• Molecular Formular: C8H5N3O
• Molecular Mass: 159.1448
• Monoisotopic Mass: 159.0432618
• SMILES: c12c(c(C=O)ccn1)nccn2
• Canonical SMILES: O=Cc1ccnc2c1nccn2
• InChI: InChI=1S/C8H5N3O/c12-5-6-1-2-10-8-7(6)9-3-4-11-8/h1-5H
• InChIKey: YEGOMKCYWLUVKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrido[2,3-b]pyrazine-8-carbaldehyde
• IUPAC Traditional name: pyrido[2,3-b]pyrazine-8-carbaldehyde
• Synonyms: Pyrido[2,3-b]pyrazine-8-carbaldehyde

Database IDs

• CAS Number: 933716-73-5
• MDL Number: MFCD09863857
• PubChem SID: 162100169
• PubChem CID: 42281362

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.11883054
• LogD (pH = 7.4): 0.1189118
• Log P: 0.11891284
• Molar Refractivity: 43.4503 cm^3
• Polarizability: 16.393501 Å^3
• Polar Surface Area: 55.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.38406

Product Information

• Purity: 95+%