1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid

C14H13NO3S — CID 94283845

IUPAC1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCc1cc(-c2cccs2)c(C(=O)O)c(=O)n1C1CC1
InChIInChI=1S/C14H13NO3S/c1-8-7-10(11-3-2-6-19-11)12(14(17)18)13(16)15(8)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,18)
InChIKeyOLLDUOXBOVBKHU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.92
Rot. Bonds3

About 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid

1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 94283845) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID94283845
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCc1cc(-c2cccs2)c(C(=O)O)c(=O)n1C1CC1
InChIInChI=1S/C14H13NO3S/c1-8-7-10(11-3-2-6-19-11)12(14(17)18)13(16)15(8)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,18)
InChIKeyOLLDUOXBOVBKHU-UHFFFAOYSA-N
XLogP2.92
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
2-methyl-4-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 151454780
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4856352
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-2-methylbenzamide
CID 90541658
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 90541798
N-(3-acetamidophenyl)-1-cyclopropyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 110861368
4-(3,5-dimethyl-4-thiophen-2-ylphenyl)-2,6-dimethylbenzoic acid
CID 141257955
1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-propan-2-ylurea
CID 90541844
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82302693
3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one
CID 82516740
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 71793361

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid (CID 94283845) is 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid is Cc1cc(-c2cccs2)c(C(=O)O)c(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is OLLDUOXBOVBKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-7-10(11-3-2-6-19-11)12(14(17)18)13(16)15(8)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,18).
What are the key properties of 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid?
1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methyl-2-oxo-4-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 94283845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).