4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C11H8N2O2S2 — CID 118725986

IUPAC4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCS(=O)c1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C11H8N2O2S2/c1-17(15)10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)
InChIKeyMYKFCCHXBHMPNN-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.71
Rot. Bonds2

About 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 118725986) has the molecular formula C11H8N2O2S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID118725986
Molecular FormulaC11H8N2O2S2
Molecular Weight264.33 g/mol
Exact Mass264.00
IUPAC Name4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCS(=O)c1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C11H8N2O2S2/c1-17(15)10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)
InChIKeyMYKFCCHXBHMPNN-UHFFFAOYSA-N
XLogP1.71
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
CID 2816326
2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CID 825326
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463
Sbb041877
CID 786829
2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile
CID 19656803
2-oxo-6-phenyl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 2815328
5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one
CID 11299374
N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide
CID 130665106
4-methylsulfanyl-6-thiophen-2-yl-1H-pyridin-2-one
CID 131860861
6-Methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
CID 2803188
N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide
CID 4789387

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 118725986) is 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is CS(=O)c1cc(-c2cccs2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is MYKFCCHXBHMPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S2/c1-17(15)10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 118725986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).