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1620-72-0 | Pyridine, 2-methyl-6-(trifluoromethyl)-
CAS No: 1620-72-0 Catalog No: AG001SLZ MDL No:MFCD07774130
Product Description
Catalog Number:
AG001SLZ
Chemical Name:
Pyridine, 2-methyl-6-(trifluoromethyl)-
CAS Number:
1620-72-0
Molecular Formula:
C7H6F3N
Molecular Weight:
161.1244
MDL Number:
MFCD07774130
IUPAC Name:
2-methyl-6-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H6F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h2-4H,1H3
InChI Key:
UTGYDHHZGXOFMZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)C(F)(F)F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.127g/mol
Monoisotopic Mass:
161.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design. | Journal of medicinal chemistry 20120308 |
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