4-(5-bromothiophen-2-yl)pyridine

• ChemBase ID: 101487
• Molecular Formular: C9H6BrNS
• Molecular Mass: 240.11964
• Monoisotopic Mass: 238.9404322
• SMILES: s1c(ccc1Br)c1ccncc1
• Canonical SMILES: Brc1ccc(s1)c1ccncc1
• InChI: InChI=1S/C9H6BrNS/c10-9-2-1-8(12-9)7-3-5-11-6-4-7/h1-6H
• InChIKey: BKLQDMVQUWKFJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromothiophen-2-yl)pyridine
• IUPAC Traditional name: 4-(5-bromothiophen-2-yl)pyridine
• Synonyms: 4-(5-bromothien-2-yl)pyridine

Database IDs

• CAS Number: 164936-60-1
• MDL Number: MFCD10700057
• PubChem SID: 162087958
• PubChem CID: 15190430

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.093113
• LogD (pH = 7.4): 3.1144152
• Log P: 3.1146953
• Molar Refractivity: 52.7099 cm^3
• Polarizability: 21.78959 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%