2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid

C12H11NO3S — CID 82901967

IUPAC2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCc2cccs2)c(=O)c1
InChIInChI=1S/C12H11NO3S/c14-11-8-9(12(15)16)3-5-13(11)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,15,16)
InChIKeyDDVKGIBEGHZEPZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.85
Rot. Bonds4

About 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid

2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid (PubChem CID 82901967) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
PubChem CID82901967
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCc2cccs2)c(=O)c1
InChIInChI=1S/C12H11NO3S/c14-11-8-9(12(15)16)3-5-13(11)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,15,16)
InChIKeyDDVKGIBEGHZEPZ-UHFFFAOYSA-N
XLogP1.85
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
CID 63775889
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
CID 44600577
1-(5-hydroxypentyl)-2-oxopyridine-4-carboxylic acid
CID 82901975
2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid
CID 102710944
3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 82801404
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
1-[(5-bromothiophen-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901684
2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid
CID 106453909
1-[2-(4-nitrophenyl)ethyl]-2-oxopyridine-4-carboxylic acid
CID 82898260
2-oxo-1-prop-2-ynylpyridine-4-carboxylic acid
CID 82902412
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid (CID 82901967) is 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid is O=C(O)c1ccn(CCc2cccs2)c(=O)c1.
What is the InChIKey of 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid?
The InChIKey is DDVKGIBEGHZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-11-8-9(12(15)16)3-5-13(11)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,15,16).
What are the key properties of 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid?
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 82901967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).