6-fluoropyridin-3-amine

• ChemBase ID: 13690
• Molecular Formular: C5H5FN2
• Molecular Mass: 112.1050032
• Monoisotopic Mass: 112.04367639
• SMILES: c1(cnc(cc1)F)N
• Canonical SMILES: Fc1ccc(cn1)N
• InChI: InChI=1S/C5H5FN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
• InChIKey: YTHMOBMZVVFNBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridin-3-amine
• IUPAC Traditional name: 5-amino-2-fluoropyridine; 6-fluoropyridin-3-amine
• Synonyms: 2-Fluoropyridin-5-amine; 5-Amino-2-fluoropyridine 98%; 6-fluoropyridin-3-amine; 5-Amino-2-fluoropyridine; 6-Fluoro-3-pyridineamine; 5-Amino-2-fluoropyridine; 6-Fluoro-3-pyridinamine; 6-氟-3-吡啶胺; 5-氨基-2-氟吡啶; 2-氟-5-氨基吡啶

Database IDs

• CAS Number: 1827-27-6
• MDL Number: MFCD01632180
• PubChem SID: 160976997
• PubChem CID: 819440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46327937
• LogD (pH = 7.4): 0.46328002
• Log P: 0.46328005
• Molar Refractivity: 29.8326 cm^3
• Polarizability: 10.282814 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-91°C; 87-91 °C; 88-91°C
• Hydrophobicity(logP): 0.468

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Store under Argon; IRRITANT
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/37/38; 37/38-41
• Safety Statements: 26-36/37/39; 26-36/37-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H335; H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310

Product Information

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

DETAILS

Sigma Aldrich - 714593

Packaging
1 g in glass bottle