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

C19H20Cl2N4O2 — CID 135835150

IUPAC5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C19H20Cl2N4O2/c1-3-4-5-6-9-25-18(26)14(11-22)12(2)17(19(25)27)24-23-16-8-7-13(20)10-15(16)21/h7-8,10,26H,3-6,9H2,1-2H3/b24-23+
InChIKeyBTFOELKVZQIMDA-WCWDXBQESA-N
MW407.30 g/mol
LogP6.04
Rot. Bonds7

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

5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835150) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID135835150
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C19H20Cl2N4O2/c1-3-4-5-6-9-25-18(26)14(11-22)12(2)17(19(25)27)24-23-16-8-7-13(20)10-15(16)21/h7-8,10,26H,3-6,9H2,1-2H3/b24-23+
InChIKeyBTFOELKVZQIMDA-WCWDXBQESA-N
XLogP6.04
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 135835150) is 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is BTFOELKVZQIMDA-WCWDXBQESA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-3-4-5-6-9-25-18(26)14(11-22)12(2)17(19(25)27)24-23-16-8-7-13(20)10-15(16)21/h7-8,10,26H,3-6,9H2,1-2H3/b24-23+.
What are the key properties of 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 407.30 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).