1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid

C14H15NO3S — CID 82516687

IUPAC1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCCC(C)n1c(-c2cccs2)ccc(C(=O)O)c1=O
InChIInChI=1S/C14H15NO3S/c1-3-9(2)15-11(12-5-4-8-19-12)7-6-10(13(15)16)14(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyWVNYXRQWPADCEC-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.25
Rot. Bonds4

About 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid

1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 82516687) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID82516687
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCCC(C)n1c(-c2cccs2)ccc(C(=O)O)c1=O
InChIInChI=1S/C14H15NO3S/c1-3-9(2)15-11(12-5-4-8-19-12)7-6-10(13(15)16)14(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyWVNYXRQWPADCEC-UHFFFAOYSA-N
XLogP3.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516663
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099867
2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid
CID 82146644
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
3-(2-aminopropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyridin-2-one
CID 82516804
5-(2,5-dithiophen-2-ylpyrrol-1-yl)-5-phenylpentanoic acid
CID 90257979
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid
CID 82099930
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid (CID 82516687) is 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid is CCC(C)n1c(-c2cccs2)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is WVNYXRQWPADCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-9(2)15-11(12-5-4-8-19-12)7-6-10(13(15)16)14(17)18/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid?
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 82516687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).