2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-chloropyridine

• ChemBase ID: 290308
• Molecular Formular: C10H9BrClN3
• Molecular Mass: 286.55556
• Monoisotopic Mass: 284.96683698
• SMILES: Clc1cccnc1n1nc(C)c(Br)c1C
• Canonical SMILES: Clc1cccnc1n1nc(c(c1C)Br)C
• InChI: InChI=1S/C10H9BrClN3/c1-6-9(11)7(2)15(14-6)10-8(12)4-3-5-13-10/h3-5H,1-2H3
• InChIKey: NQBZZGUNOMEMSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-chloropyridine
• IUPAC Traditional name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloropyridine
• Synonyms: 2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-chloropyridine

Database IDs

• CAS Number: 1150271-21-8
• PubChem SID: 180675839
• PubChem CID: 46739446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1393661
• LogD (pH = 7.4): 3.1395755
• Log P: 3.139578
• Molar Refractivity: 64.7451 cm^3
• Polarizability: 24.163921 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%