2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid

C14H12N2O3S — CID 82146644

IUPAC2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1c(-c2cccs2)ccc(C#N)c1=O
InChIInChI=1S/C14H12N2O3S/c1-2-10(14(18)19)16-11(12-4-3-7-20-12)6-5-9(8-15)13(16)17/h3-7,10H,2H2,1H3,(H,18,19)
InChIKeyGUIGNUJAEPUXAC-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid

2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid (PubChem CID 82146644) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid
PubChem CID82146644
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1c(-c2cccs2)ccc(C#N)c1=O
InChIInChI=1S/C14H12N2O3S/c1-2-10(14(18)19)16-11(12-4-3-7-20-12)6-5-9(8-15)13(16)17/h3-7,10H,2H2,1H3,(H,18,19)
InChIKeyGUIGNUJAEPUXAC-UHFFFAOYSA-N
XLogP2.48
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]butanoic acid
CID 82099050
1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 82516710
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82516687
3-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)-2-methylpropanethioamide
CID 82147595
1-[(3-cyanophenyl)methyl]-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94751210
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516663
2-[3-cyano-6-(2,4-dimethylphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099240
2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)propanoic acid
CID 82099552
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
2-butyl-3-oxo-6-thiophen-2-ylpyridazine-4-carbonitrile
CID 82447208
(E)-3-(1-methyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)prop-2-enoic acid
CID 82516868
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid?
The IUPAC name of 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid (CID 82146644) is 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid?
The canonical SMILES for 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid is CCC(C(=O)O)n1c(-c2cccs2)ccc(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid?
The InChIKey is GUIGNUJAEPUXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-2-10(14(18)19)16-11(12-4-3-7-20-12)6-5-9(8-15)13(16)17/h3-7,10H,2H2,1H3,(H,18,19).
What are the key properties of 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid?
2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid has a molecular weight of 288.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid is sourced from PubChem (CID 82146644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).