2-(4-bromo-1,3-thiazol-2-yl)pyridine

• ChemBase ID: 247956
• Molecular Formular: C8H5BrN2S
• Molecular Mass: 241.1077
• Monoisotopic Mass: 239.93568117
• SMILES: n1c(scc1Br)c1ncccc1
• Canonical SMILES: Brc1csc(n1)c1ccccn1
• InChI: InChI=1S/C8H5BrN2S/c9-7-5-12-8(11-7)6-3-1-2-4-10-6/h1-5H
• InChIKey: DYXMAMIOTZLKIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromo-1,3-thiazol-2-yl)pyridine
• IUPAC Traditional name: 2-(4-bromo-1,3-thiazol-2-yl)pyridine
• Synonyms: 2-(4-bromo-1,3-thiazol-2-yl)pyridine

Database IDs

• MDL Number: MFCD11869688
• PubChem SID: 164303866
• PubChem CID: 45788661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7992582
• LogD (pH = 7.4): 2.7992613
• Log P: 2.7992613
• Molar Refractivity: 62.3041 cm^3
• Polarizability: 20.382475 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.275

Product Information

• Purity: 95%