1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile

C12H10N2OS — CID 82081814

IUPAC1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccs2)c(C#N)c(=O)n1C
InChIInChI=1S/C12H10N2OS/c1-8-6-9(11-4-3-5-16-11)10(7-13)12(15)14(8)2/h3-6H,1-2H3
InChIKeyQAABIZPPMKBDNQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.29
Rot. Bonds1

About 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile

1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 82081814) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID82081814
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccs2)c(C#N)c(=O)n1C
InChIInChI=1S/C12H10N2OS/c1-8-6-9(11-4-3-5-16-11)10(7-13)12(15)14(8)2/h3-6H,1-2H3
InChIKeyQAABIZPPMKBDNQ-UHFFFAOYSA-N
XLogP2.29
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
4-(2,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82119664
2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 15362191
2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 13088650
6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82092939
5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 82113760
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
CID 19114959
1,2,7-trimethyl-6-thiophen-2-ylpyrrolo[3,2-b]pyridine
CID 11608431
9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile
CID 132511398
4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
CID 75505849
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile (CID 82081814) is 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile is Cc1cc(-c2cccs2)c(C#N)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is QAABIZPPMKBDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-8-6-9(11-4-3-5-16-11)10(7-13)12(15)14(8)2/h3-6H,1-2H3.
What are the key properties of 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile?
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82081814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).