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

C20H15BrN2O2 — CID 19656979

IUPAC6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1cc(-c2ccc(Br)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C20H15BrN2O2/c1-2-25-19-6-4-3-5-15(19)16-11-18(23-20(24)17(16)12-22)13-7-9-14(21)10-8-13/h3-11H,2H2,1H3,(H,23,24)
InChIKeyQLXQOVBTSBXRIX-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.74
Rot. Bonds4

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

6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656979) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656979
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1cc(-c2ccc(Br)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C20H15BrN2O2/c1-2-25-19-6-4-3-5-15(19)16-11-18(23-20(24)17(16)12-22)13-7-9-14(21)10-8-13/h3-11H,2H2,1H3,(H,23,24)
InChIKeyQLXQOVBTSBXRIX-UHFFFAOYSA-N
XLogP4.74
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656979) is 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is CCOc1ccccc1-c1cc(-c2ccc(Br)cc2)[nH]c(=O)c1C#N.
What is the InChIKey of 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is QLXQOVBTSBXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c1-2-25-19-6-4-3-5-15(19)16-11-18(23-20(24)17(16)12-22)13-7-9-14(21)10-8-13/h3-11H,2H2,1H3,(H,23,24).
What are the key properties of 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 395.26 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-4-(2-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).