5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C15H12ClN3O2 — CID 835216

IUPAC5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc(Cl)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H12ClN3O2/c1-9-12(7-17)14(20)19(2)15(21)13(9)8-18-11-5-3-10(16)4-6-11/h3-6,8,21H,1-2H3/b18-8+
InChIKeyHWEYRIMAEUVVJP-QGMBQPNBSA-N
MW301.73 g/mol
LogP2.67
Rot. Bonds2

About 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 835216) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID835216
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc(Cl)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H12ClN3O2/c1-9-12(7-17)14(20)19(2)15(21)13(9)8-18-11-5-3-10(16)4-6-11/h3-6,8,21H,1-2H3/b18-8+
InChIKeyHWEYRIMAEUVVJP-QGMBQPNBSA-N
XLogP2.67
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2,4-dichlorophenylaminomethylene)-1,3-dimethyl-
CID 387477
5-[(4-chloroanilino)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2288283
5-[(2-chloroanilino)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 387471
5-{[(4-chlorophenyl)amino]methylene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1375911
1-Butyl-1,2,5,6-tetrahydro-2,6-dioxo-4-methyl-5-(anilinomethylene)pyridine-3-carbonitrile
CID 135398875
(E)-2-[N-(4-chlorophenyl)-C-ethylcarbonimidoyl]-3-hydroxy-N,N-di(propan-2-yl)pent-2-enamide
CID 139092279
(5Z)-5-[(4-fluoroanilino)methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
CID 1219144
(5Z)-5-{[(3-chloro-4-fluorophenyl)amino]methylidene}-1-(2-methoxyethyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 135649307
5-[(2-Fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 135668640
1-Ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668641
5-[(2-Fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 135668649
1-Ethyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668660

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 835216) is 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(/C=N/c2ccc(Cl)cc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is HWEYRIMAEUVVJP-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-12(7-17)14(20)19(2)15(21)13(9)8-18-11-5-3-10(16)4-6-11/h3-6,8,21H,1-2H3/b18-8+.
What are the key properties of 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 301.73 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 835216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).