5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

C7H3ClF3NO3 — CID 84728186

IUPAC5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H3ClF3NO3/c8-3-1-2(7(9,10)11)4(6(14)15)12-5(3)13/h1H,(H,12,13)(H,14,15)
InChIKeyONYUTLGLTOHMIA-UHFFFAOYSA-N
MW241.55 g/mol
LogP1.75
Rot. Bonds1

About 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (PubChem CID 84728186) has the molecular formula C7H3ClF3NO3 and a molecular weight of 241.55 g/mol. Its IUPAC name is 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
PubChem CID84728186
Molecular FormulaC7H3ClF3NO3
Molecular Weight241.55 g/mol
Exact Mass240.98
IUPAC Name5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H3ClF3NO3/c8-3-1-2(7(9,10)11)4(6(14)15)12-5(3)13/h1H,(H,12,13)(H,14,15)
InChIKeyONYUTLGLTOHMIA-UHFFFAOYSA-N
XLogP1.75
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.55
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (CID 84728186) is 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)c(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is ONYUTLGLTOHMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO3/c8-3-1-2(7(9,10)11)4(6(14)15)12-5(3)13/h1H,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid has a molecular weight of 241.55 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 84728186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).