6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

C11H14N2O2 — CID 1504761

IUPAC2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
SMILESCC1=CC(=O)N(C(=C1C#N)O)CC(C)C
InChIInChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h4,7,15H,6H2,1-3H3
InChIKeyHTIHRQLBVBLYSO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.50
Rot. Bonds2

About 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (PubChem CID 1504761) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
PubChem CID1504761
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
SMILESCC1=CC(=O)N(C(=C1C#N)O)CC(C)C
InChIInChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h4,7,15H,6H2,1-3H3
InChIKeyHTIHRQLBVBLYSO-UHFFFAOYSA-N
XLogP1.50
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity396

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CID 119879
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CID 113347
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 170159
6-Hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3146302
1,2-Dihydro-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxonicotinonitrile
CID 120054
6-Hydroxy-1-(2-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 650531
1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile
CID 15868916
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
3-Cyano-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinepropanoic acid
CID 21264851
6-Hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2825068
6-Hydroxy-4-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CID 3291815
1-Butyl-2-chloro-4-methyl-6-oxo-1,6-dihydro-pyridine-3-carbonitrile
CID 10443632

Frequently Asked Questions

What is the IUPAC name of 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CID 1504761) is 2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile is CC1=CC(=O)N(C(=C1C#N)O)CC(C)C.
What is the InChIKey of 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is HTIHRQLBVBLYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h4,7,15H,6H2,1-3H3.
What are the key properties of 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 1504761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).