Home > Compound List > Compound details
1060814-96-1 molecular structure
click picture or here to close

[5-(trifluoromethoxy)pyridin-2-yl]methanamine

ChemBase ID: 815392
Molecular Formular: C7H7F3N2O
Molecular Mass: 192.1384896
Monoisotopic Mass: 192.05104751
SMILES and InChIs

SMILES:
C(N)c1ncc(cc1)OC(F)(F)F
Canonical SMILES:
NCc1ccc(cn1)OC(F)(F)F
InChI:
InChI=1S/C7H7F3N2O/c8-7(9,10)13-6-2-1-5(3-11)12-4-6/h1-2,4H,3,11H2
InChIKey:
MJBUPFGGAIAROY-UHFFFAOYSA-N

Cite this record

CBID:815392 http://www.chembase.cn/molecule-815392.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(trifluoromethoxy)pyridin-2-yl]methanamine
IUPAC Traditional name
[5-(trifluoromethoxy)pyridin-2-yl]methanamine
Synonyms
(5-(trifluoromethoxy)pyridin-2-yl)methanamine
CAS Number
1060814-96-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37677 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37677 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3291075  LogD (pH = 7.4) 0.25268984 
Log P 1.3939253  Molar Refractivity 34.9226 cm3
Polarizability 14.797815 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle