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112110-07-3 molecular structure
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5-(trifluoromethyl)pyridin-3-amine

ChemBase ID: 68519
Molecular Formular: C6H5F3N2
Molecular Mass: 162.1125096
Monoisotopic Mass: 162.04048283
SMILES and InChIs

SMILES:
c1c(cc(cn1)C(F)(F)F)N
Canonical SMILES:
FC(c1cncc(c1)N)(F)F
InChI:
InChI=1S/C6H5F3N2/c7-6(8,9)4-1-5(10)3-11-2-4/h1-3H,10H2
InChIKey:
NJFRBMFEAGFNDC-UHFFFAOYSA-N

Cite this record

CBID:68519 http://www.chembase.cn/molecule-68519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(trifluoromethyl)pyridin-3-amine
IUPAC Traditional name
5-(trifluoromethyl)pyridin-3-amine
Synonyms
5-(Trifluoromethyl)-3-aminopyridine
CAS Number
112110-07-3
MDL Number
MFCD00128900
PubChem SID
162034250
PubChem CID
14051936

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7551282  LogD (pH = 7.4) 0.8038291 
Log P 0.80449593  Molar Refractivity 34.5752 cm3
Polarizability 11.895878 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
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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