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

C7H3ClF3NO3 — CID 139597294

IUPAC3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H3ClF3NO3/c8-3-1-2(7(9,10)11)5(13)12-4(3)6(14)15/h1H,(H,12,13)(H,14,15)
InChIKeyUIKWSXJKVFZINB-UHFFFAOYSA-N
MW241.55 g/mol
LogP1.75
Rot. Bonds1

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

3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (PubChem CID 139597294) has the molecular formula C7H3ClF3NO3 and a molecular weight of 241.55 g/mol. Its IUPAC name is 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
PubChem CID139597294
Molecular FormulaC7H3ClF3NO3
Molecular Weight241.55 g/mol
Exact Mass240.98
IUPAC Name3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H3ClF3NO3/c8-3-1-2(7(9,10)11)5(13)12-4(3)6(14)15/h1H,(H,12,13)(H,14,15)
InChIKeyUIKWSXJKVFZINB-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 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (CID 139597294) is 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is UIKWSXJKVFZINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO3/c8-3-1-2(7(9,10)11)5(13)12-4(3)6(14)15/h1H,(H,12,13)(H,14,15).
What are the key properties of 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
3-chloro-6-oxo-5-(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 3-chloro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 139597294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).