2-fluoropyridin-4-amine

• ChemBase ID: 66740
• Molecular Formular: C5H5FN2
• Molecular Mass: 112.1050032
• Monoisotopic Mass: 112.04367639
• SMILES: c1(cc(ccn1)N)F
• Canonical SMILES: Nc1ccnc(c1)F
• InChI: InChI=1S/C5H5FN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)
• InChIKey: JSAKBYXSHKYFQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridin-4-amine
• IUPAC Traditional name: 2-fluoropyridin-4-amine
• Synonyms: 4-Amino-2-fluoropyridine; 4-Amino-2-fluoropyridine; 2-Fluoropyridin-4-amine

Database IDs

• CAS Number: 18614-51-2
• MDL Number: MFCD03095284
• PubChem SID: 162032476
• PubChem CID: 2762830

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46205258
• LogD (pH = 7.4): 0.46326455
• Log P: 0.46328005
• Molar Refractivity: 29.8326 cm^3
• Polarizability: 10.278399 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-88 °C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 96%; 98%
• Empirical Formula (Hill Notation): C5H5FN2

DETAILS

Sigma Aldrich - 720232

Packaging
1 g in glass bottle