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

• ChemBase ID: 294775
• Molecular Formular: C7H5FN2
• Molecular Mass: 136.1264032
• Monoisotopic Mass: 136.04367639
• SMILES: Fc1cnc2c([nH]cc2)c1
• Canonical SMILES: Fc1cnc2c(c1)[nH]cc2
• InChI: InChI=1S/C7H5FN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
• InChIKey: CVGJTKLSMRMEOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1190320-33-2
• PubChem SID: 180680306
• PubChem CID: 53413083

CALCULATED PROPERTIES

• Acid pKa: 13.826512
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3826973
• LogD (pH = 7.4): 1.3828851
• Log P: 1.3828876
• Molar Refractivity: 34.832 cm^3
• Polarizability: 14.297839 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%