5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C8H7N3O — CID 818624

IUPAC5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILES[H]/N=C/c1c[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C8H7N3O/c1-5-6(2-9)4-11-8(12)7(5)3-10/h2,4,9H,1H3,(H,11,12)/b9-2+
InChIKeyARJIYENPUUXFJT-XNWCZRBMSA-N
MW161.16 g/mol
LogP0.55
Rot. Bonds1

About 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 818624) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID818624
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILES[H]/N=C/c1c[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C8H7N3O/c1-5-6(2-9)4-11-8(12)7(5)3-10/h2,4,9H,1H3,(H,11,12)/b9-2+
InChIKeyARJIYENPUUXFJT-XNWCZRBMSA-N
XLogP0.55
TPSA80.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 135407267
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
CID 66980847
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
CID 130076847
4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82118172
(6-methyl-1H-indol-3-yl)methanimine
CID 143049497
(7-methyl-1H-indol-3-yl)methanimine
CID 143450197
3-oxo-2H-isoquinoline-4-carbonitrile
CID 89302996
5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 82113760
4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135781819
methyl 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130076956
3-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridine-4-carbonitrile
CID 119054196

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 818624) is 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is [H]/N=C/c1c[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ARJIYENPUUXFJT-XNWCZRBMSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-6(2-9)4-11-8(12)7(5)3-10/h2,4,9H,1H3,(H,11,12)/b9-2+.
What are the key properties of 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 161.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 818624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).