4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C12H10N2OS — CID 82115662

IUPAC4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1c(-c2cccs2)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C12H10N2OS/c1-7-8(2)11(10-4-3-5-16-10)14-12(15)9(7)6-13/h3-5H,1-2H3,(H,14,15)
InChIKeyJGJDUTVVCKTFBN-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.59
Rot. Bonds1

About 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 82115662) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID82115662
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1c(-c2cccs2)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C12H10N2OS/c1-7-8(2)11(10-4-3-5-16-10)14-12(15)9(7)6-13/h3-5H,1-2H3,(H,14,15)
InChIKeyJGJDUTVVCKTFBN-UHFFFAOYSA-N
XLogP2.59
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.59
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
6-[(3-methoxypropyl)amino]-4-oxo-2-(2-thienyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
CID 327069
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CID 825326
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-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
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463
4-oxo-2-(2-oxopropylsulfanyl)-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 135460554
1-Amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2728505

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 82115662) is 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is Cc1c(-c2cccs2)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is JGJDUTVVCKTFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-8(2)11(10-4-3-5-16-10)14-12(15)9(7)6-13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82115662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).