2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

C7H4F3NO3 — CID 2727097

IUPAC2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)3-1-2-11-5(12)4(3)6(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyBTKJQACWGYUCRA-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.09
Rot. Bonds1

About 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (PubChem CID 2727097) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
PubChem CID2727097
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)3-1-2-11-5(12)4(3)6(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyBTKJQACWGYUCRA-UHFFFAOYSA-N
XLogP1.09
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (CID 2727097) is 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)cc[nH]c1=O.
What is the InChIKey of 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is BTKJQACWGYUCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-7(9,10)3-1-2-11-5(12)4(3)6(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 2727097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).