6-methoxy-1H,2H,3H,4H-pyrido[2,3-b]pyrazine

• ChemBase ID: 68317
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: c12c(NCCN1)ccc(n2)OC
• Canonical SMILES: COc1ccc2c(n1)NCCN2
• InChI: InChI=1S/C8H11N3O/c1-12-7-3-2-6-8(11-7)10-5-4-9-6/h2-3,9H,4-5H2,1H3,(H,10,11)
• InChIKey: MGGIXOIFXXEQRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1H,2H,3H,4H-pyrido[2,3-b]pyrazine
• IUPAC Traditional name: 6-methoxy-1H,2H,3H,4H-pyrido[2,3-b]pyrazine
• Synonyms: 6-Methoxy-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

Database IDs

• CAS Number: 1260862-06-3
• MDL Number: MFCD08062781
• PubChem SID: 162034049
• PubChem CID: 55252659

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.48780197
• LogD (pH = 7.4): 0.55984634
• Log P: 0.5608485
• Molar Refractivity: 49.4099 cm^3
• Polarizability: 17.1965 Å^3
• Polar Surface Area: 46.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%