4-(trifluoromethyl)pyridine-3-carboxylic acid

C7H4F3NO2 — CID 2777549

IUPAC4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)
InChIKeyLMRJHNFECNKDKH-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.80
Rot. Bonds1

About 4-(trifluoromethyl)pyridine-3-carboxylic acid

4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 2777549) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID2777549
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)
InChIKeyLMRJHNFECNKDKH-UHFFFAOYSA-N
XLogP1.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 2777549) is 4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is LMRJHNFECNKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13).
What are the key properties of 4-(trifluoromethyl)pyridine-3-carboxylic acid?
4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 191.11 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 2777549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).