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

C14H10Cl2N4O2 — CID 135790064

IUPAC5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N4O2/c1-7-8(6-17)13(21)20(2)14(22)12(7)19-18-10-5-3-4-9(15)11(10)16/h3-5,21H,1-2H3/b19-18+
InChIKeyDKUYCTQBWQPVLK-VHEBQXMUSA-N
MW337.17 g/mol
LogP3.99
Rot. Bonds2

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

5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (PubChem CID 135790064) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
PubChem CID135790064
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC Name5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N4O2/c1-7-8(6-17)13(21)20(2)14(22)12(7)19-18-10-5-3-4-9(15)11(10)16/h3-5,21H,1-2H3/b19-18+
InChIKeyDKUYCTQBWQPVLK-VHEBQXMUSA-N
XLogP3.99
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835167
5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835195
5-[(2-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835401
1-benzyl-5-[(3-chloro-2-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835615
5-[(2-chlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835171
methyl 2-chloro-5-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoate
CID 135981147
5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 137383275
5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 4770438
2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835485
2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835001
1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835527
5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835511

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (CID 135790064) is 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1cccc(Cl)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The InChIKey is DKUYCTQBWQPVLK-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c1-7-8(6-17)13(21)20(2)14(22)12(7)19-18-10-5-3-4-9(15)11(10)16/h3-5,21H,1-2H3/b19-18+.
What are the key properties of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile has a molecular weight of 337.17 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135790064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).