5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile

C8H8N2O — CID 71303629

IUPAC5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=CC(C#N)C(=O)N=C1C
InChIInChI=1S/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3,7H,1-2H3
InChIKeyFQWQVGGRGOYGIY-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.07
Rot. Bonds

About 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile

5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 71303629) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID71303629
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=CC(C#N)C(=O)N=C1C
InChIInChI=1S/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3,7H,1-2H3
InChIKeyFQWQVGGRGOYGIY-UHFFFAOYSA-N
XLogP1.07
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Dimethyl-2-oxo-2,3-dihydropyridine-3-carbonitrile
CID 15421486
5,6-Dimethylpyridin-2(3H)-one
CID 56972388
6-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 57236360
6-ethyl-5-methyl-3H-pyridin-2-one
CID 90455642
(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7156905
(3S)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7156906
6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile
CID 13240379
4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 15421487
2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 15421492
2-oxo-3H-quinoline-3-carbonitrile
CID 71302972
5-iodo-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 71651483
6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
CID 72734068

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile (CID 71303629) is 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile is CC1=CC(C#N)C(=O)N=C1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is FQWQVGGRGOYGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3,7H,1-2H3.
What are the key properties of 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile?
5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 71303629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).