2-chloropyrido[2,3-b]pyrazine

• ChemBase ID: 293429
• Molecular Formular: C7H4ClN3
• Molecular Mass: 165.57976
• Monoisotopic Mass: 165.00937482
• SMILES: Clc1nc2cccnc2nc1
• Canonical SMILES: Clc1cnc2c(n1)cccn2
• InChI: InChI=1S/C7H4ClN3/c8-6-4-10-7-5(11-6)2-1-3-9-7/h1-4H
• InChIKey: SZRDXDOFCABQPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyrido[2,3-b]pyrazine
• IUPAC Traditional name: 2-chloropyrido[2,3-b]pyrazine
• Synonyms: 2-Chloropyrido[2,3-b]pyrazine

Database IDs

• CAS Number: 70838-55-0
• MDL Number: MFCD06738667
• PubChem SID: 180678960
• PubChem CID: 21856172

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.2306291
• LogD (pH = 7.4): 1.2306323
• Log P: 1.2306323
• Molar Refractivity: 42.7324 cm^3
• Polarizability: 16.44508 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

PROPERTIES

Product Information

• Purity: 95+%