6-fluoro-1H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 289187
• Molecular Formular: C7H5FN2
• Molecular Mass: 136.1264032
• Monoisotopic Mass: 136.04367639
• SMILES: Fc1ccc2c([nH]cc2)n1
• Canonical SMILES: Fc1ccc2c(n1)[nH]cc2
• InChI: InChI=1S/C7H5FN2/c8-6-2-1-5-3-4-9-7(5)10-6/h1-4H,(H,9,10)
• InChIKey: ZALXIVQPEUDQPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 6-fluoro-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 6-Fluoro-1H-pyrrolo[2,3-b]pyridine

Database IDs

• CAS Number: 898746-42-4
• PubChem SID: 180674718
• PubChem CID: 24728891

CALCULATED PROPERTIES

• Acid pKa: 15.163828
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.75843
• LogD (pH = 7.4): 1.75843
• Log P: 1.75843
• Molar Refractivity: 36.1713 cm^3
• Polarizability: 13.634316 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%