4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

C19H14N2O2 — CID 25190445

IUPAC4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C19H14N2O2/c1-12-7-8-18(22)15(9-12)14-10-17(13-5-3-2-4-6-13)21-19(23)16(14)11-20/h2-10,22H,1H3,(H,21,23)
InChIKeyKCGDXRXRKTWLTG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.59
Rot. Bonds2

About 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 25190445) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID25190445
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C19H14N2O2/c1-12-7-8-18(22)15(9-12)14-10-17(13-5-3-2-4-6-13)21-19(23)16(14)11-20/h2-10,22H,1H3,(H,21,23)
InChIKeyKCGDXRXRKTWLTG-UHFFFAOYSA-N
XLogP3.59
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 25190445) is 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is Cc1ccc(O)c(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is KCGDXRXRKTWLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-12-7-8-18(22)15(9-12)14-10-17(13-5-3-2-4-6-13)21-19(23)16(14)11-20/h2-10,22H,1H3,(H,21,23).
What are the key properties of 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 302.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 25190445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).