3-chloro-2,6-difluoropyridin-4-amine

• ChemBase ID: 297227
• Molecular Formular: C5H3ClF2N2
• Molecular Mass: 164.5405264
• Monoisotopic Mass: 163.99528223
• SMILES: c1c(c(c(nc1F)F)Cl)N
• Canonical SMILES: Fc1cc(N)c(c(n1)F)Cl
• InChI: InChI=1S/C5H3ClF2N2/c6-4-2(9)1-3(7)10-5(4)8/h1H,(H2,9,10)
• InChIKey: PQARVFBBRZLDTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2,6-difluoropyridin-4-amine
• IUPAC Traditional name: 3-chloro-2,6-difluoropyridin-4-amine
• Synonyms: 3-Chloro-2,6-difluoro-4-pyridinamine; 4-Amino-3-chloro-2,6-difluoropyridine; 4-氨基-3-氯-2,6-二氟吡啶

Database IDs

• CAS Number: 405230-78-6
• MDL Number: MFCD18800801
• PubChem SID: 180682758
• PubChem CID: 22284019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6039573
• LogD (pH = 7.4): 1.6039573
• Log P: 1.6039573
• Molar Refractivity: 35.8685 cm^3
• Polarizability: 12.166328 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-84°C

Safety Information

• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 21/22-51/53
• Safety Statements: 36/37-57
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H311-H411-H401
• GHS Precautionary statements: P280-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%