6-bromopyrido[2,3-b]pyrazine

• ChemBase ID: 89128
• Molecular Formular: C7H4BrN3
• Molecular Mass: 210.03076
• Monoisotopic Mass: 208.95885914
• SMILES: n1c2c(ncc1)nc(cc2)Br
• Canonical SMILES: Brc1ccc2c(n1)nccn2
• InChI: InChI=1S/C7H4BrN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H
• InChIKey: JLMAHBCUEYQXKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyrido[2,3-b]pyrazine
• IUPAC Traditional name: 6-bromopyrido[2,3-b]pyrazine
• Synonyms: 6-Bromo-1,4,5-triazanaphthalene; 6-Bromopyrido[2,3-b]pyrazine

Database IDs

• CAS Number: 1204298-53-2
• PubChem SID: 162076012
• PubChem CID: 54759071

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3806424
• LogD (pH = 7.4): 1.3806846
• Log P: 1.3806851
• Molar Refractivity: 45.3313 cm^3
• Polarizability: 17.370884 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive

Product Information

• Purity: 95+%