5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C11H8N2OS — CID 55207721

IUPAC5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)[nH]c1-c1cccs1
InChIInChI=1S/C11H8N2OS/c1-7-5-8(6-12)11(14)13-10(7)9-3-2-4-15-9/h2-5H,1H3,(H,13,14)
InChIKeyKNLZKDQTHHUAML-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.28
Rot. Bonds1

About 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 55207721) has the molecular formula C11H8N2OS and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID55207721
Molecular FormulaC11H8N2OS
Molecular Weight216.26 g/mol
Exact Mass216.04
IUPAC Name5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)[nH]c1-c1cccs1
InChIInChI=1S/C11H8N2OS/c1-7-5-8(6-12)11(14)13-10(7)9-3-2-4-15-9/h2-5H,1H3,(H,13,14)
InChIKeyKNLZKDQTHHUAML-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 ≤ 500216.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
CID 2816326
2-(Methylthio)-6-oxo-4-(2-thienyl)-1,6-dihydropyrimidine-5-carbonitrile
CID 135445597
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
N-Tert-butyl-2-thiophenecarboxamide
CID 4324161
2-Oxo-4-(thiophen-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 25190449
4-methylsulfinyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 118725986
2-Methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile
CID 657957
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463
1-Amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2728505
Sbb041877
CID 786829
2-oxo-6-phenyl-4-thiophen-3-yl-1H-pyridine-3-carbonitrile
CID 19656803

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 55207721) is 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is Cc1cc(C#N)c(=O)[nH]c1-c1cccs1.
What is the InChIKey of 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is KNLZKDQTHHUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-5-8(6-12)11(14)13-10(7)9-3-2-4-15-9/h2-5H,1H3,(H,13,14).
What are the key properties of 5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
5-methyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 216.26 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-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 55207721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).