4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H15BrN2O — CID 3629581

IUPAC4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C20H15BrN2O/c1-2-13-6-8-14(9-7-13)19-11-17(18(12-22)20(24)23-19)15-4-3-5-16(21)10-15/h3-11H,2H2,1H3,(H,23,24)
InChIKeyFKWADLVMRHTHIF-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.91
Rot. Bonds3

About 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 3629581) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID3629581
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C20H15BrN2O/c1-2-13-6-8-14(9-7-13)19-11-17(18(12-22)20(24)23-19)15-4-3-5-16(21)10-15/h3-11H,2H2,1H3,(H,23,24)
InChIKeyFKWADLVMRHTHIF-UHFFFAOYSA-N
XLogP4.91
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 3629581) is 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is CCc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FKWADLVMRHTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O/c1-2-13-6-8-14(9-7-13)19-11-17(18(12-22)20(24)23-19)15-4-3-5-16(21)10-15/h3-11H,2H2,1H3,(H,23,24).
What are the key properties of 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 379.26 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 3629581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).