4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid

C11H10N2O5S — CID 79554540

IUPAC4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(SCC(=O)N2CCOC2=O)ccn1
InChIInChI=1S/C11H10N2O5S/c14-9(13-3-4-18-11(13)17)6-19-7-1-2-12-8(5-7)10(15)16/h1-2,5H,3-4,6H2,(H,15,16)
InChIKeyFXKWZVYRTLPPEQ-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.85
Rot. Bonds4

About 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid

4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid (PubChem CID 79554540) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
PubChem CID79554540
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(SCC(=O)N2CCOC2=O)ccn1
InChIInChI=1S/C11H10N2O5S/c14-9(13-3-4-18-11(13)17)6-19-7-1-2-12-8(5-7)10(15)16/h1-2,5H,3-4,6H2,(H,15,16)
InChIKeyFXKWZVYRTLPPEQ-UHFFFAOYSA-N
XLogP0.85
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid (CID 79554540) is 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid is O=C(O)c1cc(SCC(=O)N2CCOC2=O)ccn1.
What is the InChIKey of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid?
The InChIKey is FXKWZVYRTLPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c14-9(13-3-4-18-11(13)17)6-19-7-1-2-12-8(5-7)10(15)16/h1-2,5H,3-4,6H2,(H,15,16).
What are the key properties of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid?
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79554540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).