4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile

C9H12N2O — CID 126763284

IUPAC4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile
SMILESCCC1=C(C#N)C(O)NC(C)=C1
InChIInChI=1S/C9H12N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4,9,11-12H,3H2,1-2H3
InChIKeyMXJOGLIZPZTRSE-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.04
Rot. Bonds1

About 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile

4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile (PubChem CID 126763284) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile
PubChem CID126763284
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile
SMILESCCC1=C(C#N)C(O)NC(C)=C1
InChIInChI=1S/C9H12N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4,9,11-12H,3H2,1-2H3
InChIKeyMXJOGLIZPZTRSE-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Cyano-5-hydroxy-1,5-dihydro-2hpyrrol-2-ylidene)malononitrile
CID 132277223
4,6-Dimethyl-1,2-dihydropyridin-2-ol
CID 18948482
2-Methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 58836840
2-Hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 58836841
2-Hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile
CID 89052936
(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol
CID 118861825
3-(Aminomethyl)-6-methyl-4-propan-2-yl-1,2-dihydropyridin-2-ol
CID 126548786
(2Z)-3-hydroxy-3-(3-methoxypropylamino)-2-[3-(3-methoxypropylamino)cyclohex-2-en-1-ylidene]propanenitrile
CID 130292685
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-ol
CID 134216276
3-(Aminomethyl)-6-methyl-4-propyl-1,2-dihydropyridin-2-ol
CID 135259490
3-(Aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol
CID 135259508
(6-Ethyl-5-methyl-1,2-dihydropyridin-3-yl)methanol
CID 142245264

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile (CID 126763284) is 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile is CCC1=C(C#N)C(O)NC(C)=C1.
What is the InChIKey of 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is MXJOGLIZPZTRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4,9,11-12H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile?
4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-6-methyl-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 126763284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).