2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one

C12H11NO2S — CID 142760567

IUPAC2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(=O)c1cccs1
InChIInChI=1S/C12H11NO2S/c1-8-6-10(14)7-9(2)13(8)12(15)11-4-3-5-16-11/h3-7H,1-2H3
InChIKeyBKXQOLGPZBITPA-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.22
Rot. Bonds1

About 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one

2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one (PubChem CID 142760567) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one
PubChem CID142760567
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(=O)c1cccs1
InChIInChI=1S/C12H11NO2S/c1-8-6-10(14)7-9(2)13(8)12(15)11-4-3-5-16-11/h3-7H,1-2H3
InChIKeyBKXQOLGPZBITPA-UHFFFAOYSA-N
XLogP2.22
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
CID 4171182
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 2816786
1-(thiophene-2-carbonyl)pyrrolidin-3-one
CID 112536071
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(5-methylbenzotriazol-1-yl)-thiophen-2-ylmethanone
CID 21210330
benzotriazol-2-yl(thiophen-2-yl)methanone
CID 141296565
6-iodo-2-sulfanylidene-3-(thiophene-2-carbonyl)-1H-quinazolin-4-one
CID 4771499
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one (CID 142760567) is 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one is Cc1cc(=O)cc(C)n1C(=O)c1cccs1.
What is the InChIKey of 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one?
The InChIKey is BKXQOLGPZBITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-6-10(14)7-9(2)13(8)12(15)11-4-3-5-16-11/h3-7H,1-2H3.
What are the key properties of 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one?
2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one has a molecular weight of 233.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one is sourced from PubChem (CID 142760567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).