3-(trifluoromethyl)pyridine-4-carboxylate

C7H3F3NO2- — CID 26986367

IUPAC3-(trifluoromethyl)pyridine-4-carboxylate
SMILESO=C([O-])c1ccncc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)/p-1
InChIKeyFBOSFEOQEZQFOC-UHFFFAOYSA-M
MW190.10 g/mol
LogP0.46
Rot. Bonds1

About 3-(trifluoromethyl)pyridine-4-carboxylate

3-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 26986367) has the molecular formula C7H3F3NO2- and a molecular weight of 190.10 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Name3-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID26986367
Molecular FormulaC7H3F3NO2-
Molecular Weight190.10 g/mol
Exact Mass190.01
IUPAC Name3-(trifluoromethyl)pyridine-4-carboxylate
SMILESO=C([O-])c1ccncc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)/p-1
InChIKeyFBOSFEOQEZQFOC-UHFFFAOYSA-M
XLogP0.46
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
potassium 2-(trifluoromethyl)benzoate
CID 162538888
methanol;methyl 3-(trifluoromethyl)pyridine-4-carboxylate;3-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 158055243
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
tert-butyl N-[[3-(trifluoromethyl)pyridine-4-carbonyl]amino]carbamate
CID 175174344
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008846
N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 99779539
4-sulfidopyridine-3-carboxylate
CID 6946725

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of 3-(trifluoromethyl)pyridine-4-carboxylate (CID 26986367) is 3-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for 3-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for 3-(trifluoromethyl)pyridine-4-carboxylate is O=C([O-])c1ccncc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is FBOSFEOQEZQFOC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)/p-1.
What are the key properties of 3-(trifluoromethyl)pyridine-4-carboxylate?
3-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 190.10 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 26986367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).