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

• ChemBase ID: 68304
• Molecular Formular: C7H8ClN3
• Molecular Mass: 169.61152
• Monoisotopic Mass: 169.04067495
• SMILES: c12c(NCCN1)ccc(n2)Cl
• Canonical SMILES: Clc1ccc2c(n1)NCCN2
• InChI: InChI=1S/C7H8ClN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-2,9H,3-4H2,(H,10,11)
• InChIKey: CGLFWSRMJVZEGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1210129-64-8
• MDL Number: MFCD08062760
• PubChem SID: 162034036
• PubChem CID: 45790040

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.94745666
• LogD (pH = 7.4): 0.94827366
• Log P: 0.9482841
• Molar Refractivity: 48.4993 cm^3
• Polarizability: 16.613089 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%