6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C11H8N2OS — CID 63993091

IUPAC6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccsc1-c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C11H8N2OS/c1-7-4-5-15-10(7)9-3-2-8(6-12)11(14)13-9/h2-5H,1H3,(H,13,14)
InChIKeyBMQLOBKBSXJVMG-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.28
Rot. Bonds1

About 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 63993091) has the molecular formula C11H8N2OS and a molecular weight of 216.26 g/mol. Its IUPAC name is 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID63993091
Molecular FormulaC11H8N2OS
Molecular Weight216.26 g/mol
Exact Mass216.04
IUPAC Name6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccsc1-c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C11H8N2OS/c1-7-4-5-15-10(7)9-3-2-8(6-12)11(14)13-9/h2-5H,1H3,(H,13,14)
InChIKeyBMQLOBKBSXJVMG-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-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CID 825326
(2E)-2-cyano-N-(2-methylphenyl)-3-(thiophen-3-yl)prop-2-enamide
CID 878233
2-cyano-N-(2-methylphenyl)-3-(3-thienyl)acrylamide
CID 2263811
4-methylsulfinyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 118725986
(2E)-2-cyano-N-(1-phenylethyl)-3-(thiophen-2-yl)prop-2-enamide
CID 6368251
n-Benzyl-2-cyano-3-(thiophen-2-yl)prop-2-enamide
CID 921615
2-oxo-4-(2-thienyl)-1,5-dihydro-2H-thiochromeno[4,3-b]pyridine-3-carbonitrile
CID 11840848
2-Methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile
CID 657957
N-Benzyl-2-cyano-3-(3-methyl-thiophen-2-yl)-acrylamide
CID 767824
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 63993091) is 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccsc1-c1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BMQLOBKBSXJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-4-5-15-10(7)9-3-2-8(6-12)11(14)13-9/h2-5H,1H3,(H,13,14).
What are the key properties of 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(3-methylthiophen-2-yl)-2-oxo-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 6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 63993091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).