3-chloropyrido[2,3-b]pyrazine

• ChemBase ID: 293209
• Molecular Formular: C7H4ClN3
• Molecular Mass: 165.57976
• Monoisotopic Mass: 165.00937482
• SMILES: Clc1nc2ncccc2nc1
• Canonical SMILES: Clc1cnc2c(n1)nccc2
• InChI: InChI=1S/C7H4ClN3/c8-6-4-10-5-2-1-3-9-7(5)11-6/h1-4H
• InChIKey: WMFHEGZVJNGLLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 155535-23-2
• MDL Number: MFCD20925262
• PubChem SID: 180678740
• PubChem CID: 20360818

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2305543
• LogD (pH = 7.4): 1.2306314
• Log P: 1.2306323
• Molar Refractivity: 42.7324 cm^3
• Polarizability: 16.447344 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%