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

C17H16Cl2N4O2 — CID 135835195

IUPAC5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(CC(C)C)c(=O)c1/N=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-9(2)8-23-16(24)11(7-20)10(3)15(17(23)25)22-21-13-6-4-5-12(18)14(13)19/h4-6,9,24H,8H2,1-3H3/b22-21+
InChIKeyKZVNNHKEYASNLS-QURGRASLSA-N
MW379.25 g/mol
LogP5.11
Rot. Bonds4

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

5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile (PubChem CID 135835195) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
PubChem CID135835195
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(CC(C)C)c(=O)c1/N=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-9(2)8-23-16(24)11(7-20)10(3)15(17(23)25)22-21-13-6-4-5-12(18)14(13)19/h4-6,9,24H,8H2,1-3H3/b22-21+
InChIKeyKZVNNHKEYASNLS-QURGRASLSA-N
XLogP5.11
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.25
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile (CID 135835195) is 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(CC(C)C)c(=O)c1/N=N/c1cccc(Cl)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile?
The InChIKey is KZVNNHKEYASNLS-QURGRASLSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-9(2)8-23-16(24)11(7-20)10(3)15(17(23)25)22-21-13-6-4-5-12(18)14(13)19/h4-6,9,24H,8H2,1-3H3/b22-21+.
What are the key properties of 5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile?
5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile has a molecular weight of 379.25 g/mol, XLogP of 5.11, 4 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-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).