5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C12H9NO5S — CID 53223876

IUPAC5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOC(=O)c1cc(-c2c[nH]c(=O)c(C(=O)O)c2)cs1
InChIInChI=1S/C12H9NO5S/c1-18-12(17)9-3-7(5-19-9)6-2-8(11(15)16)10(14)13-4-6/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyZTIPCHXIXYIXNE-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.59
Rot. Bonds3

About 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53223876) has the molecular formula C12H9NO5S and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53223876
Molecular FormulaC12H9NO5S
Molecular Weight279.27 g/mol
Exact Mass279.02
IUPAC Name5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOC(=O)c1cc(-c2c[nH]c(=O)c(C(=O)O)c2)cs1
InChIInChI=1S/C12H9NO5S/c1-18-12(17)9-3-7(5-19-9)6-2-8(11(15)16)10(14)13-4-6/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyZTIPCHXIXYIXNE-UHFFFAOYSA-N
XLogP1.59
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
CID 53217992
methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate
CID 53217994
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
CID 10375975
5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223113
5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 10014975
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
(2S)-2-amino-2-[4-(5-methoxycarbonylthiophen-3-yl)phenyl]acetic acid
CID 66513184
methyl 4-(5-chloro-1H-imidazol-4-yl)thiophene-2-carboxylate
CID 167222368
5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223755
5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224066
5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 53223876) is 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid is COC(=O)c1cc(-c2c[nH]c(=O)c(C(=O)O)c2)cs1.
What is the InChIKey of 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZTIPCHXIXYIXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5S/c1-18-12(17)9-3-7(5-19-9)6-2-8(11(15)16)10(14)13-4-6/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 279.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53223876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).