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Home Other Building Blocks 6-Hydroxy-4-(trifluoromethyl)nicotinic acid

6-Hydroxy-4-(trifluoromethyl)nicotinic acid

CAS No.:
849020-87-7
Catalog Number:
AG0036F8
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
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Product Description
Catalog Number:
AG0036F8
Chemical Name:
6-Hydroxy-4-(trifluoromethyl)nicotinic acid
CAS Number:
849020-87-7
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
MDL Number:
MFCD06245493
IUPAC Name:
6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
WCUKVMMGYGOCGJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(=O)cc1C(F)(F)F
UNII:
861AS683MK
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.108g/mol
Monoisotopic Mass:
207.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
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