Home Carboxys 4-hydroxy-5-(trifluoromethyl)pyridine-3-carboxylic acid

4-hydroxy-5-(trifluoromethyl)pyridine-3-carboxylic acid

CAS No.:
1211530-53-8
Catalog Number:
AG01BESA
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
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Product Description
Catalog Number:
AG01BESA
Chemical Name:
4-hydroxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Number:
1211530-53-8
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
MDL Number:
MFCD18257464
IUPAC Name:
4-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4F3NO3/c8-7(9,10)4-2-11-1-3(5(4)12)6(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
PXRMFIMXJCWETR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1O)C(F)(F)F
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:
7  
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:
1.3  
Properties