methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate

C11H9NO3S — CID 53217992

IUPACmethyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc[nH]c2=O)cs1
InChIInChI=1S/C11H9NO3S/c1-15-11(14)9-5-7(6-16-9)8-3-2-4-12-10(8)13/h2-6H,1H3,(H,12,13)
InChIKeyFBBKCUUBDZKVCM-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.89
Rot. Bonds2

About methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate

methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate (PubChem CID 53217992) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
PubChem CID53217992
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Namemethyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc[nH]c2=O)cs1
InChIInChI=1S/C11H9NO3S/c1-15-11(14)9-5-7(6-16-9)8-3-2-4-12-10(8)13/h2-6H,1H3,(H,12,13)
InChIKeyFBBKCUUBDZKVCM-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

Analyze methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate (CID 53217992) is methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate is COC(=O)c1cc(-c2ccc[nH]c2=O)cs1.
What is the InChIKey of methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
The InChIKey is FBBKCUUBDZKVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-11(14)9-5-7(6-16-9)8-3-2-4-12-10(8)13/h2-6H,1H3,(H,12,13).
What are the key properties of methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
methyl 4-(2-oxo-1H-pyridin-3-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-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 53217992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).