2-bromo-7-chloropyrazolo[1,5-a]pyrimidine

• ChemBase ID: 292041
• Molecular Formular: C6H3BrClN3
• Molecular Mass: 232.46512
• Monoisotopic Mass: 230.91988679
• SMILES: Clc1ccnc2cc(Br)nn12
• Canonical SMILES: Brc1nn2c(c1)nccc2Cl
• InChI: InChI=1S/C6H3BrClN3/c7-4-3-6-9-2-1-5(8)11(6)10-4/h1-3H
• InChIKey: ZCVVRHPFDQOMEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-7-chloropyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 2-bromo-7-chloropyrazolo[1,5-a]pyrimidine
• Synonyms: 2-Bromo-7-chloropyrazolo[1,5-a]pyrimidine

Database IDs

• CAS Number: 1203705-58-1
• MDL Number: MFCD20527863
• PubChem SID: 180677572
• PubChem CID: 46180049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9463019
• LogD (pH = 7.4): 1.9463025
• Log P: 1.9463025
• Molar Refractivity: 57.0445 cm^3
• Polarizability: 17.41361 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%