Home Carboxys 5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid

5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid

CAS No.:
1211525-32-4
Catalog Number:
AG01DV2J
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
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Product Description
Catalog Number:
AG01DV2J
Chemical Name:
5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CAS Number:
1211525-32-4
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD18255469
IUPAC Name:
5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H6F3NO3/c1-15-5-3-12-6(8(9,10)11)2-4(5)7(13)14/h2-3H,1H3,(H,13,14)
InChI Key:
KIQJUPGCYCBMJI-UHFFFAOYSA-N
SMILES:
COc1cnc(cc1C(=O)O)C(F)(F)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties