5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile

C19H12N2O2 — CID 135018572

IUPAC5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C19H12N2O2/c20-12-15-11-16(18(22)14-9-5-2-6-10-14)19(23)21-17(15)13-7-3-1-4-8-13/h1-11H,(H,21,23)
InChIKeyVYFZEARAHYWFCB-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.14
Rot. Bonds3

About 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile

5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 135018572) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
PubChem CID135018572
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C19H12N2O2/c20-12-15-11-16(18(22)14-9-5-2-6-10-14)19(23)21-17(15)13-7-3-1-4-8-13/h1-11H,(H,21,23)
InChIKeyVYFZEARAHYWFCB-UHFFFAOYSA-N
XLogP3.14
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3042145
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6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
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phenyl-[2-phenyl-5-(2-phenylethynyl)-1H-indol-3-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile (CID 135018572) is 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile is N#Cc1cc(C(=O)c2ccccc2)c(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is VYFZEARAHYWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c20-12-15-11-16(18(22)14-9-5-2-6-10-14)19(23)21-17(15)13-7-3-1-4-8-13/h1-11H,(H,21,23).
What are the key properties of 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile?
5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135018572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).