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

• ChemBase ID: 290474
• Molecular Formular: C10H10BrN3
• Molecular Mass: 252.1105
• Monoisotopic Mass: 251.00580934
• SMILES: Cc1cc(C)nn1c1ncc(Br)cc1
• Canonical SMILES: Brc1ccc(nc1)n1nc(cc1C)C
• InChI: InChI=1S/C10H10BrN3/c1-7-5-8(2)14(13-7)10-4-3-9(11)6-12-10/h3-6H,1-2H3
• InChIKey: KQPQXODEGMMZQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1150164-92-3
• PubChem SID: 180676005
• PubChem CID: 46739389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.534679
• LogD (pH = 7.4): 2.5355227
• Log P: 2.5355334
• Molar Refractivity: 59.9403 cm^3
• Polarizability: 22.16678 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%