2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile

C15H14N4O3 — CID 946742

IUPAC2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(CCO)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C15H14N4O3/c1-10-12(9-16)14(21)19(7-8-20)15(22)13(10)18-17-11-5-3-2-4-6-11/h2-6,20-21H,7-8H2,1H3/b18-17+
InChIKeyTXAYSVXUCLRJSF-ISLYRVAYSA-N
MW298.30 g/mol
LogP2.14
Rot. Bonds4

About 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile

2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile (PubChem CID 946742) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile
PubChem CID946742
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(CCO)c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C15H14N4O3/c1-10-12(9-16)14(21)19(7-8-20)15(22)13(10)18-17-11-5-3-2-4-6-11/h2-6,20-21H,7-8H2,1H3/b18-17+
InChIKeyTXAYSVXUCLRJSF-ISLYRVAYSA-N
XLogP2.14
TPSA110.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile (CID 946742) is 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile is Cc1c(C#N)c(O)n(CCO)c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
The InChIKey is TXAYSVXUCLRJSF-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10-12(9-16)14(21)19(7-8-20)15(22)13(10)18-17-11-5-3-2-4-6-11/h2-6,20-21H,7-8H2,1H3/b18-17+.
What are the key properties of 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile?
2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile has a molecular weight of 298.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile is sourced from PubChem (CID 946742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).