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Home Nitriles 2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile

2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile

CAS No.:
116548-08-4
Catalog Number:
AG000CRE
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$1063
- +
Product Description
Catalog Number:
AG000CRE
Chemical Name:
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
CAS Number:
116548-08-4
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
MDL Number:
MFCD01026933
IUPAC Name:
4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14)
InChI Key:
KJPCSAVVWNUZOG-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc([nH]c1=O)C(F)(F)F
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.136g/mol
Monoisotopic Mass:
202.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties