2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

C11H6F3NO3S — CID 170873571

IUPAC2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H6F3NO3S/c12-11(13,14)5-4-6(7-2-1-3-19-7)15-9(16)8(5)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyGJPBJPJHXXKWTH-UHFFFAOYSA-N
MW289.23 g/mol
LogP2.82
Rot. Bonds2

About 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (PubChem CID 170873571) has the molecular formula C11H6F3NO3S and a molecular weight of 289.23 g/mol. Its IUPAC name is 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
PubChem CID170873571
Molecular FormulaC11H6F3NO3S
Molecular Weight289.23 g/mol
Exact Mass289.00
IUPAC Name2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H6F3NO3S/c12-11(13,14)5-4-6(7-2-1-3-19-7)15-9(16)8(5)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyGJPBJPJHXXKWTH-UHFFFAOYSA-N
XLogP2.82
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-2-oxo-6-(2-thienyl)-3-pyridinecarboxylic acid
CID 21548074
6-(5-Bromo-2-thienyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 45496336
6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 21818174
2-oxo-6-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-3-carboxylic acid
CID 168205758
ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate
CID 71553040
ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate
CID 71553041
3-acetyl-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 20100479
2-oxo-6-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxylic acid
CID 21548057
1,2-Dihydro-6-(5-methyl-2-thienyl)-2-oxo-3-pyridinecarboxylic acid
CID 61658688
6-(5-Chloro-2-thienyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 61658905
1-(2-Carboxyethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099882
2-Oxo-1-(3-oxobutyl)-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 118477191

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (CID 170873571) is 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is GJPBJPJHXXKWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3S/c12-11(13,14)5-4-6(7-2-1-3-19-7)15-9(16)8(5)10(17)18/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 289.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 170873571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).