6-bromo-3-fluoropyridine-2-carbaldehyde

• ChemBase ID: 99372
• Molecular Formular: C6H3BrFNO
• Molecular Mass: 203.9965232
• Monoisotopic Mass: 202.93820394
• SMILES: n1c(ccc(c1C=O)F)Br
• Canonical SMILES: O=Cc1nc(Br)ccc1F
• InChI: InChI=1S/C6H3BrFNO/c7-6-2-1-4(8)5(3-10)9-6/h1-3H
• InChIKey: BFBRCFKSFRYJGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-fluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 6-bromo-3-fluoropyridine-2-carbaldehyde
• Synonyms: 6-Bromo-3-fluoro-2-formylpyridine; 6-Bromo-3-fluoropicolinaldehyde; 6-Bromo-3-fluoropyridine-2-carboxaldehyde 98%; 2-BROMO-5-FLUORO-6-FORMYLPYRIDINE

Database IDs

• CAS Number: 885267-36-7
• MDL Number: MFCD07781224
• PubChem SID: 162085640
• PubChem CID: 16414238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2595954
• LogD (pH = 7.4): 2.2595954
• Log P: 2.2595954
• Molar Refractivity: 38.7813 cm^3
• Polarizability: 14.215838 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-115°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 98%