6-bromo-4-chloropyrido[2,3-d]pyrimidine

• ChemBase ID: 67155
• Molecular Formular: C7H3BrClN3
• Molecular Mass: 244.47582
• Monoisotopic Mass: 242.91988679
• SMILES: c1nc2c(c(n1)Cl)cc(cn2)Br
• Canonical SMILES: Brc1cnc2c(c1)c(Cl)ncn2
• InChI: InChI=1S/C7H3BrClN3/c8-4-1-5-6(9)11-3-12-7(5)10-2-4/h1-3H
• InChIKey: RXOCJQZPMNEQJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloropyrido[2,3-d]pyrimidine
• IUPAC Traditional name: 6-bromo-4-chloropyrido[2,3-d]pyrimidine
• Synonyms: 6-Bromo-4-chloropyrido[2,3-d]pyrimidine

Database IDs

• CAS Number: 1215787-31-7
• MDL Number: MFCD11040200
• PubChem SID: 162032891
• PubChem CID: 52983817

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1253657
• LogD (pH = 7.4): 2.125369
• Log P: 2.125369
• Molar Refractivity: 51.7053 cm^3
• Polarizability: 19.37237 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%