ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate

C13H13NO3S — CID 71553040

IUPACethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)7-9(14-12(11)15)10-5-4-6-18-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyMHIUJOGQDUVTGB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.59
Rot. Bonds3

About ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate

ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate (PubChem CID 71553040) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate
PubChem CID71553040
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Nameethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)7-9(14-12(11)15)10-5-4-6-18-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyMHIUJOGQDUVTGB-UHFFFAOYSA-N
XLogP2.59
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate (CID 71553040) is ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
The InChIKey is MHIUJOGQDUVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)7-9(14-12(11)15)10-5-4-6-18-10/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71553040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).