2-fluoropyrimidine

• ChemBase ID: 95470
• Molecular Formular: C4H3FN2
• Molecular Mass: 98.0784232
• Monoisotopic Mass: 98.02802633
• SMILES: n1c(nccc1)F
• Canonical SMILES: Fc1ncccn1
• InChI: InChI=1S/C4H3FN2/c5-4-6-2-1-3-7-4/h1-3H
• InChIKey: WAVYAFBQOXCGSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyrimidine
• IUPAC Traditional name: pyrimidine, 2-fluoro-
• Synonyms: 2-Fluoropyrimidine

Database IDs

• CAS Number: 31575-35-6
• MDL Number: MFCD08059530
• PubChem SID: 162082119
• PubChem CID: 141643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.67069656
• LogD (pH = 7.4): 0.67069656
• Log P: 0.67069656
• Molar Refractivity: 23.5859 cm^3
• Polarizability: 8.297261 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 17-25°C
• Boiling Point: 75°C/20mm
• Density: 1.5623

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%