6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile

C20H15BrN2O — CID 3112245

IUPAC6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H15BrN2O/c1-2-24-20-18(13-22)17(14-6-4-3-5-7-14)12-19(23-20)15-8-10-16(21)11-9-15/h3-12H,2H2,1H3
InChIKeyFMMFEXXRGXWPPI-UHFFFAOYSA-N
MW379.26 g/mol
LogP5.45
Rot. Bonds4

About 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile

6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile (PubChem CID 3112245) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
PubChem CID3112245
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H15BrN2O/c1-2-24-20-18(13-22)17(14-6-4-3-5-7-14)12-19(23-20)15-8-10-16(21)11-9-15/h3-12H,2H2,1H3
InChIKeyFMMFEXXRGXWPPI-UHFFFAOYSA-N
XLogP5.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
CID 170458771
4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
CID 4266918
2-ethoxy-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-4-phenylpyridine-3-carbonitrile
CID 135753503
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
6-(4-bromophenyl)-2-(methylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3326274
6-(4-bromophenyl)-2-[(S)-butylsulfinyl]-4-phenylpyridine-3-carbonitrile
CID 40901484
6-(4-bromophenyl)-2-[(R)-butylsulfinyl]-4-phenylpyridine-3-carbonitrile
CID 40901483
2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
CID 3125938
N-(4-bromophenyl)-2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 3165431
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
CID 141482511
6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
CID 171429616

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile (CID 3112245) is 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile is CCOc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile?
The InChIKey is FMMFEXXRGXWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O/c1-2-24-20-18(13-22)17(14-6-4-3-5-7-14)12-19(23-20)15-8-10-16(21)11-9-15/h3-12H,2H2,1H3.
What are the key properties of 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile?
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile has a molecular weight of 379.26 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3112245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).