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

C14H11ClN4O2 — CID 135835167

IUPAC5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H11ClN4O2/c1-8-9(7-16)13(20)19(2)14(21)12(8)18-17-11-6-4-3-5-10(11)15/h3-6,20H,1-2H3/b18-17+
InChIKeySZJJQYNFHZMWND-ISLYRVAYSA-N
MW302.72 g/mol
LogP3.34
Rot. Bonds2

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

5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835167) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
PubChem CID135835167
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H11ClN4O2/c1-8-9(7-16)13(20)19(2)14(21)12(8)18-17-11-6-4-3-5-10(11)15/h3-6,20H,1-2H3/b18-17+
InChIKeySZJJQYNFHZMWND-ISLYRVAYSA-N
XLogP3.34
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.34
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-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (CID 135835167) is 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The InChIKey is SZJJQYNFHZMWND-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-8-9(7-16)13(20)19(2)14(21)12(8)18-17-11-6-4-3-5-10(11)15/h3-6,20H,1-2H3/b18-17+.
What are the key properties of 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile has a molecular weight of 302.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).