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105252-95-7 molecular structure
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2,3,5-trifluoropyridin-4-amine

ChemBase ID: 43020
Molecular Formular: C5H3F3N2
Molecular Mass: 148.0859296
Monoisotopic Mass: 148.02483277
SMILES and InChIs

SMILES:
c1(c(c(cnc1F)F)N)F
Canonical SMILES:
Fc1cnc(c(c1N)F)F
InChI:
InChI=1S/C5H3F3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKey:
YGXNVYOBTXUTMF-UHFFFAOYSA-N

Cite this record

CBID:43020 http://www.chembase.cn/molecule-43020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5-trifluoropyridin-4-amine
IUPAC Traditional name
2,3,5-trifluoropyridin-4-amine
Synonyms
2,3,5-Trifluoropyridin-4-amine
4-Amino-2,3,5-trifluoropyridine 97%
2,3,5-Trifluoro-4-pyridinamine
CAS Number
105252-95-7
MDL Number
MFCD01862081
PubChem SID
162047783
PubChem CID
2737746

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.996738  H Acceptors
H Donor LogD (pH = 5.5) 0.74868387 
LogD (pH = 7.4) 0.7486839  Log P 0.7486839 
Molar Refractivity 30.2654 cm3 Polarizability 10.059461 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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