5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

C11H8N2OS — CID 82113760

IUPAC5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1c[nH]c(=O)c(C#N)c1-c1cccs1
InChIInChI=1S/C11H8N2OS/c1-7-6-13-11(14)8(5-12)10(7)9-3-2-4-15-9/h2-4,6H,1H3,(H,13,14)
InChIKeyYNLCEERVAVZEEO-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.28
Rot. Bonds1

About 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 82113760) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID82113760
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1c[nH]c(=O)c(C#N)c1-c1cccs1
InChIInChI=1S/C11H8N2OS/c1-7-6-13-11(14)8(5-12)10(7)9-3-2-4-15-9/h2-4,6H,1H3,(H,13,14)
InChIKeyYNLCEERVAVZEEO-UHFFFAOYSA-N
XLogP2.28
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 175816359
4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82118172
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-6-oxo-4-thiophen-2-yl-1H-pyridine-3,5-dicarbonitrile
CID 163686994
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile
CID 150365380
2-(2,6-dimethylphenyl)thiophene
CID 58838883
(8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile
CID 6477639
3-oxo-2H-isoquinoline-4-carbonitrile
CID 89302996
5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile
CID 10687171
methyl 5-cyano-6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carboxylate
CID 23911303
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-6-oxo-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 163581917
4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 135407267

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 82113760) is 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is Cc1c[nH]c(=O)c(C#N)c1-c1cccs1.
What is the InChIKey of 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is YNLCEERVAVZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-6-13-11(14)8(5-12)10(7)9-3-2-4-15-9/h2-4,6H,1H3,(H,13,14).
What are the key properties of 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 216.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82113760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).