C1=CN=C(C=C1C(=O)O)C(F)(F)F
CAS: 131747-41-6
Name: 2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILES: C1=CN=C(C=C1C(=O)O)C(F)(F)F

Molecular Processing

Molecular formula
C7H4F3NO2
Molecular weight
191.11
Exact mass
191.0194
XLogP
1.8
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
36.2

Supplementary Information

InChIKey: BZFGKBQHQJVAHS-UHFFFAOYSA-N
Synonyme
131747-41-62-(trifluoromethyl)pyridine-4-carboxylic acidDTXSID10563696RefChem:254934DTXCID20514472662-939-82-(trifluoromethyl)isonicotinic acid2-Trifluoromethyl-isonicotinic acidMFCD077741322-(Trifluoromethyl)-4-pyridinecarboxylic acid4-PYRIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-2-(Trifluoromethyl)isonicotinicacidSCHEMBL503171SCHEMBL29427285CHEBI:231005SBB053024AKOS006282770AB42319CS-W008451FS-2591AC-24533SY035544DB-027497DB-3463642-(triluoromethyl)pyridine-4-carboxylic acidEN300-96022F0660822-(Trifluoromethyl)pyridine-4-carboxylic acid, 97%Z1198173818
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