2-bromo-5-fluoropyridine-4-carbaldehyde

• ChemBase ID: 98015
• Molecular Formular: C6H3BrFNO
• Molecular Mass: 203.9965232
• Monoisotopic Mass: 202.93820394
• SMILES: n1c(cc(c(c1)F)C=O)Br
• Canonical SMILES: O=Cc1cc(Br)ncc1F
• InChI: InChI=1S/C6H3BrFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
• InChIKey: DDLSIOQASXKYHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-fluoropyridine-4-carbaldehyde
• IUPAC Traditional name: 2-bromo-5-fluoropyridine-4-carbaldehyde
• Synonyms: 2-Bromo-5-fluoropyridine-4-carboxaldehyde; 2-Bromo-5-fluoro-4-formylpyridine; 2-Bromo-5-fluoroisonicotinaldehyde; 2-BROMO-5-FLUORO-4-FORMYLPYRIDINE

Database IDs

• CAS Number: 1005291-43-9
• MDL Number: MFCD09800558
• PubChem SID: 162084488
• PubChem CID: 45480328

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5850523
• LogD (pH = 7.4): 1.5850523
• Log P: 1.5850523
• Molar Refractivity: 39.1665 cm^3
• Polarizability: 14.21183 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 95+%; 98%