6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile

C13H10N2O3S — CID 19114959

IUPAC6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
SMILESCc1c(C(=O)c2cccs2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C13H10N2O3S/c1-7-8(6-14)12(17)15(2)13(18)10(7)11(16)9-4-3-5-19-9/h3-5,18H,1-2H3
InChIKeyMJPJSTSXAFHWGV-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.56
Rot. Bonds2

About 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile

6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile (PubChem CID 19114959) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
PubChem CID19114959
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
SMILESCc1c(C(=O)c2cccs2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C13H10N2O3S/c1-7-8(6-14)12(17)15(2)13(18)10(7)11(16)9-4-3-5-19-9/h3-5,18H,1-2H3
InChIKeyMJPJSTSXAFHWGV-UHFFFAOYSA-N
XLogP1.56
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19114939
6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115005
6-hydroxy-1,4-dimethyl-2-oxo-5-(3,4,6-trichloro-1-benzothiophene-2-carbonyl)pyridine-3-carbonitrile
CID 19114966
6-hydroxy-1,4-dimethyl-2-oxo-5-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)pyridine-3-carbonitrile
CID 19115033
5-(4-heptoxybenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114984
5-benzoyl-1-butan-2-yl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115867
6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116944
5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115209
6-hydroxy-1,4-dimethyl-2-oxo-5-[2-(2,3,4,5,6-pentachlorophenoxy)acetyl]pyridine-3-carbonitrile
CID 19115027
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
5-[2-(2,4-dichlorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114955
6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116806

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile (CID 19114959) is 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile is Cc1c(C(=O)c2cccs2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile?
The InChIKey is MJPJSTSXAFHWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-7-8(6-14)12(17)15(2)13(18)10(7)11(16)9-4-3-5-19-9/h3-5,18H,1-2H3.
What are the key properties of 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile has a molecular weight of 274.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19114959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).