methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate

C11H9NO3S — CID 53217994

IUPACmethyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc[nH]c(=O)c2)cs1
InChIInChI=1S/C11H9NO3S/c1-15-11(14)9-4-8(6-16-9)7-2-3-12-10(13)5-7/h2-6H,1H3,(H,12,13)
InChIKeyFYTVRLFGRQXJNY-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.89
Rot. Bonds2

About methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate

methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate (PubChem CID 53217994) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate
PubChem CID53217994
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Namemethyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc[nH]c(=O)c2)cs1
InChIInChI=1S/C11H9NO3S/c1-15-11(14)9-4-8(6-16-9)7-2-3-12-10(13)5-7/h2-6H,1H3,(H,12,13)
InChIKeyFYTVRLFGRQXJNY-UHFFFAOYSA-N
XLogP1.89
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-fluoro-7-oxo-6,7-dihydrothieno[2,3-c]pyridine-2-carboxylate
CID 134828081
Methyl 5-(2-amino-1-fluoroethyl)thiophene-3-carboxylate
CID 165666032
Methyl 3-(3-amino-1-fluoropropyl)thiophene-2-carboxylate
CID 165674099
[2-(Methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2421416
methyl (4E)-4-[2-(butylamino)-2-oxoethylidene]-6,7-dihydro-5H-1-benzothiophene-2-carboxylate
CID 10946743
4-(2-Thenoyloxy)-2-pyridone
CID 14049675
Methyl 5-(3-aminoprop-1-en-1-yl)thiophene-2-carboxylate
CID 20677655
Methyl 5-(2-phenylethylcarbamoyl)thiophene-2-carboxylate
CID 38770261
4-(N-butylcarbamoyl)methylidene-2-methoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thiophene
CID 53971866
2-Aminoethyl 4,5-dimethylthiophene-2-carboxylate
CID 54257993
Methyl 5-(3-aminoprop-1-enyl)thiophene-2-carboxylate
CID 54334895
methyl (4Z)-4-[2-(butylamino)-2-oxoethylidene]-6,7-dihydro-5H-1-benzothiophene-2-carboxylate
CID 69954745

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate (CID 53217994) is methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate is COC(=O)c1cc(-c2cc[nH]c(=O)c2)cs1.
What is the InChIKey of methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate?
The InChIKey is FYTVRLFGRQXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-11(14)9-4-8(6-16-9)7-2-3-12-10(13)5-7/h2-6H,1H3,(H,12,13).
What are the key properties of methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate?
methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate has a molecular weight of 235.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate is sourced from PubChem (CID 53217994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).