Home Carboxys 5-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid

5-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid

CAS No.:
1803813-92-4
Catalog Number:
AG01AMPT
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
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Product Description
Catalog Number:
AG01AMPT
Chemical Name:
5-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Number:
1803813-92-4
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD28782933
IUPAC Name:
5-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-4(2-12)1-5(3-13-6)7(14)15/h1,3H,(H,14,15)
InChI Key:
KPYGQTPIFSUUEL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1C(F)(F)F)C(=O)O
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.119g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties