2-fluoropyridin-3-amine

• ChemBase ID: 16308
• Molecular Formular: C5H5FN2
• Molecular Mass: 112.1050032
• Monoisotopic Mass: 112.04367639
• SMILES: c1cnc(c(c1)N)F
• Canonical SMILES: Nc1cccnc1F
• InChI: InChI=1S/C5H5FN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
• InChIKey: QVDACIZNNNFTBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridin-3-amine
• IUPAC Traditional name: 2-fluoropyridin-3-amine
• Synonyms: 2-Fluoropyridin-3-amine; 3-Amino-2-fluoropyridine; 3-Amino-2-fluoropyridine; 3-Amino-2-fluoropyridine

Database IDs

• CAS Number: 1597-33-7
• MDL Number: MFCD03095248
• PubChem SID: 160979615
• PubChem CID: 2762816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4632797
• LogD (pH = 7.4): 0.46328002
• Log P: 0.46328005
• Molar Refractivity: 29.8326 cm^3
• Polarizability: 10.283779 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.212 g/mL at 25 °C
• Refractive Index: n20/D 1.563

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5FN2

DETAILS

Sigma Aldrich - 728675

Packaging
1 g in glass bottle