2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile

C11H12N2O2 — CID 91209185

IUPAC2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CCC)c(=O)c1=C
InChIInChI=1S/C11H12N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h15H,2-5H2,1H3
InChIKeyGSFZILMUKKYTAS-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.34
Rot. Bonds2

About 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile

2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 91209185) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
PubChem CID91209185
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CCC)c(=O)c1=C
InChIInChI=1S/C11H12N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h15H,2-5H2,1H3
InChIKeyGSFZILMUKKYTAS-UHFFFAOYSA-N
XLogP-0.34
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652
(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123751311
2-hydroxy-4,5-dimethylidene-6-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carbonitrile
CID 91443425
5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115209
5-[(3-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
CID 135835967
1-(3-butoxypropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 91056744
6-hydroxy-4-methyl-2-oxo-5-(4-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115244
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115536
7-bromo-6-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1-propyl-3-pyridinyl)diazenyl]-2-ethyl-1,3-dioxoisoindole-5-carbonitrile
CID 136960637
3-[3-(2-carboxyethyl)-2,4,6-trioxo-5-propyl-1,3,5-triazinan-1-yl]propanoic acid
CID 59141687
1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 167961025

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile (CID 91209185) is 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile is C=c1c(C#N)c(O)n(CCC)c(=O)c1=C.
What is the InChIKey of 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is GSFZILMUKKYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h15H,2-5H2,1H3.
What are the key properties of 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile?
2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 91209185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).