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

C11H9NO3S — CID 91873028

IUPACmethyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)[nH]c(=O)c1
InChIInChI=1S/C11H9NO3S/c1-15-11(14)7-5-8(12-10(13)6-7)9-3-2-4-16-9/h2-6H,1H3,(H,12,13)
InChIKeyHZMZYAAXGDIYGA-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.89
Rot. Bonds2

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

methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate (PubChem CID 91873028) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate
PubChem CID91873028
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Namemethyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)[nH]c(=O)c1
InChIInChI=1S/C11H9NO3S/c1-15-11(14)7-5-8(12-10(13)6-7)9-3-2-4-16-9/h2-6H,1H3,(H,12,13)
InChIKeyHZMZYAAXGDIYGA-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate (CID 91873028) is methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate is COC(=O)c1cc(-c2cccs2)[nH]c(=O)c1.
What is the InChIKey of methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate?
The InChIKey is HZMZYAAXGDIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-11(14)7-5-8(12-10(13)6-7)9-3-2-4-16-9/h2-6H,1H3,(H,12,13).
What are the key properties of methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate?
methyl 2-oxo-6-thiophen-2-yl-1H-pyridine-4-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 2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylate is sourced from PubChem (CID 91873028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).