2,3-dichloropyrido[2,3-b]pyrazine

• ChemBase ID: 118801
• Molecular Formular: C7H3Cl2N3
• Molecular Mass: 200.02482
• Monoisotopic Mass: 198.97040247
• SMILES: n1c(c(nc2c1nccc2)Cl)Cl
• Canonical SMILES: Clc1nc2ncccc2nc1Cl
• InChI: InChI=1S/C7H3Cl2N3/c8-5-6(9)12-7-4(11-5)2-1-3-10-7/h1-3H
• InChIKey: HWJDFFLZOOKZNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25710-18-3
• MDL Number: MFCD09031107
• PubChem SID: 162102961
• PubChem CID: 11788868

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0548542
• LogD (pH = 7.4): 2.0548542
• Log P: 2.0548542
• Molar Refractivity: 48.5985 cm^3
• Polarizability: 18.472809 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Partition Coefficient: 2.45106
• Hydrophobicity(logP): 1.525

Product Information

• Purity: 95%; 95+%