1,3,6-trimethyl-2-oxopyridine-4-carbonitrile

C9H10N2O — CID 22890209

IUPAC1,3,6-trimethyl-2-oxopyridine-4-carbonitrile
SMILESCc1c(C#N)cc(C)n(C)c1=O
InChIInChI=1S/C9H10N2O/c1-6-4-8(5-10)7(2)9(12)11(6)3/h4H,1-3H3
InChIKeyKKRCOSCJJJALGK-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.87
Rot. Bonds

About 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile

1,3,6-trimethyl-2-oxopyridine-4-carbonitrile (PubChem CID 22890209) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile.

Molecular Properties

Compound Name1,3,6-trimethyl-2-oxopyridine-4-carbonitrile
PubChem CID22890209
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1,3,6-trimethyl-2-oxopyridine-4-carbonitrile
SMILESCc1c(C#N)cc(C)n(C)c1=O
InChIInChI=1S/C9H10N2O/c1-6-4-8(5-10)7(2)9(12)11(6)3/h4H,1-3H3
InChIKeyKKRCOSCJJJALGK-UHFFFAOYSA-N
XLogP0.87
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyano-4,6-dimethyl-2-hydroxypyridine
CID 69856
Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
CID 46479
1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
1-Allyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1485466
5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1475376
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
2-methyl-4-oxo-4H-quinolizine-1-carbonitrile
CID 2426546
1,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 24219840
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3148839
2-Hydroxy-6-ethylpyridine-3-carbonitrile
CID 10487008
(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
CID 155541424
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile?
The IUPAC name of 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile (CID 22890209) is 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile.
What is the SMILES notation for 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile?
The canonical SMILES for 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile is Cc1c(C#N)cc(C)n(C)c1=O.
What is the InChIKey of 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile?
The InChIKey is KKRCOSCJJJALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-8(5-10)7(2)9(12)11(6)3/h4H,1-3H3.
What are the key properties of 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile?
1,3,6-trimethyl-2-oxopyridine-4-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-2-oxopyridine-4-carbonitrile is sourced from PubChem (CID 22890209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).