Home Other Building Blocks 3-Chloro-5-(trifluoromethyl)-2(3h)-pyridinone

3-Chloro-5-(trifluoromethyl)-2(3h)-pyridinone

CAS No.:
76041-71-9
Catalog Number:
AG0036NG
Molecular Formula:
C6H3ClF3NO
Molecular Weight:
197.5423
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$40
- +
5g
98%
In Stock USA
United States
$83
- +
25g
98%
In Stock USA
United States
$275
- +
100g
98%
In Stock USA
United States
$965
- +
Product Description
Catalog Number:
AG0036NG
Chemical Name:
3-Chloro-5-(trifluoromethyl)-2(3h)-pyridinone
CAS Number:
76041-71-9
Molecular Formula:
C6H3ClF3NO
Molecular Weight:
197.5423
MDL Number:
MFCD00153095
IUPAC Name:
3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChI Key:
AJPOOWWMZOPUCG-UHFFFAOYSA-N
SMILES:
ClC1C=C(C=NC1=O)C(F)(F)F
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.541g/mol
Monoisotopic Mass:
196.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
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