4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one

C12H11NO3S — CID 135502034

IUPAC4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one
SMILESCc1cc(O)c(C(=O)c2cccs2)c(=O)n1C
InChIInChI=1S/C12H11NO3S/c1-7-6-8(14)10(12(16)13(7)2)11(15)9-4-3-5-17-9/h3-6,14H,1-2H3
InChIKeyKMKPPPBBQUEYCO-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.69
Rot. Bonds2

About 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one

4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one (PubChem CID 135502034) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one
PubChem CID135502034
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one
SMILESCc1cc(O)c(C(=O)c2cccs2)c(=O)n1C
InChIInChI=1S/C12H11NO3S/c1-7-6-8(14)10(12(16)13(7)2)11(15)9-4-3-5-17-9/h3-6,14H,1-2H3
InChIKeyKMKPPPBBQUEYCO-UHFFFAOYSA-N
XLogP1.69
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one (CID 135502034) is 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one is Cc1cc(O)c(C(=O)c2cccs2)c(=O)n1C.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one?
The InChIKey is KMKPPPBBQUEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-7-6-8(14)10(12(16)13(7)2)11(15)9-4-3-5-17-9/h3-6,14H,1-2H3.
What are the key properties of 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one?
4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-3-(thiophene-2-carbonyl)pyridin-2-one is sourced from PubChem (CID 135502034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).