3,5-dichloro-6-fluoropyridin-2-amine

• ChemBase ID: 297312
• Molecular Formular: C5H3Cl2FN2
• Molecular Mass: 180.9951232
• Monoisotopic Mass: 179.96573169
• SMILES: c1c(c(nc(c1Cl)F)N)Cl
• Canonical SMILES: Clc1cc(Cl)c(nc1N)F
• InChI: InChI=1S/C5H3Cl2FN2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
• InChIKey: IOGPHVQFUVKNLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-6-fluoropyridin-2-amine
• IUPAC Traditional name: 3,5-dichloro-6-fluoropyridin-2-amine
• Synonyms: 2-Amino-3,5-dichloro-6-fluoropyridine; 2-氨基-3,5-二氯-6-氟吡啶

Database IDs

• MDL Number: MFCD18253523
• PubChem SID: 180682843
• PubChem CID: 53485737

CALCULATED PROPERTIES

• Acid pKa: 19.414082
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.265827
• LogD (pH = 7.4): 2.265827
• Log P: 2.265827
• Molar Refractivity: 39.7557 cm^3
• Polarizability: 14.282973 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-123°C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%