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57946-61-9 molecular structure
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6-(2,2,2-trifluoroethoxy)pyridin-3-amine

ChemBase ID: 258250
Molecular Formular: C7H7F3N2O
Molecular Mass: 192.1384896
Monoisotopic Mass: 192.05104751
SMILES and InChIs

SMILES:
C(COc1ncc(N)cc1)(F)(F)F
Canonical SMILES:
Nc1ccc(nc1)OCC(F)(F)F
InChI:
InChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-2-1-5(11)3-12-6/h1-3H,4,11H2
InChIKey:
OJCXGRPKFISGAZ-UHFFFAOYSA-N

Cite this record

CBID:258250 http://www.chembase.cn/molecule-258250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2,2,2-trifluoroethoxy)pyridin-3-amine
IUPAC Traditional name
6-(2,2,2-trifluoroethoxy)pyridin-3-amine
Synonyms
6-(2,2,2-trifluoroethoxy)pyridin-3-amine
6-(2,2,2-Trifluoro-ethoxy)-pyridin-3-ylamine
CAS Number
57946-61-9
72617-82-4
MDL Number
MFCD04111379
PubChem SID
164314160
PubChem CID
543156

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.82552  H Acceptors
H Donor LogD (pH = 5.5) 1.3161191 
LogD (pH = 7.4) 1.3184994  Log P 1.31853 
Molar Refractivity 40.8283 cm3 Polarizability 14.4721 Å3
Polar Surface Area 48.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.391 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
96% expand Show data source
97% 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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