4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile

C9H10N2O — CID 642508

IUPAC4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1C
InChIInChI=1S/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12)
InChIKeyATHBJRFQFOFPLV-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.17
Rot. Bonds

About 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile

4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 642508) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID642508
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1C
InChIInChI=1S/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12)
InChIKeyATHBJRFQFOFPLV-UHFFFAOYSA-N
XLogP1.17
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
3-Cyano-4,6-dimethyl-2-hydroxypyridine
CID 69856
5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 737752
4,6-Dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 223265
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile
CID 2781722
5-Acetyl-2-hydroxy-6-methylnicotinonitrile
CID 2765476
1-(2-Methylpropyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridine-4-carbonitrile
CID 661524
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 1389675
1-Ethyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CID 658812
6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12944925
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1480186
1-Butyl-3-hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3773502

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 642508) is 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ATHBJRFQFOFPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12).
What are the key properties of 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile?
4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 642508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).