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3534-50-7 molecular structure
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3,5,6-trifluoropyridin-2-amine

ChemBase ID: 51429
Molecular Formular: C5H3F3N2
Molecular Mass: 148.0859296
Monoisotopic Mass: 148.02483277
SMILES and InChIs

SMILES:
c1(c(cc(c(n1)F)F)F)N
Canonical SMILES:
Fc1cc(F)c(nc1N)F
InChI:
InChI=1S/C5H3F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
InChIKey:
NKEJHBNYXQTAKY-UHFFFAOYSA-N

Cite this record

CBID:51429 http://www.chembase.cn/molecule-51429.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5,6-trifluoropyridin-2-amine
IUPAC Traditional name
3,5,6-trifluoropyridin-2-amine
Synonyms
2-Amino-3,5,6-trifluoropyridine
CAS Number
3534-50-7
MDL Number
MFCD03001164
PubChem SID
162056192
PubChem CID
12508074

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
055399 external link Add to cart Please log in.
Data Source Data ID
PubChem 12508074 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.112278  H Acceptors
H Donor LogD (pH = 5.5) 1.3431414 
LogD (pH = 7.4) 1.3431414  Log P 1.3431414 
Molar Refractivity 30.5789 cm3 Polarizability 10.0622015 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
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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