4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile

C20H14BrClN2O — CID 4266918

IUPAC4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C20H14BrClN2O/c1-2-25-20-18(12-23)17(14-4-3-5-15(21)10-14)11-19(24-20)13-6-8-16(22)9-7-13/h3-11H,2H2,1H3
InChIKeyQMQQLEZDDRXHCJ-UHFFFAOYSA-N
MW413.70 g/mol
LogP6.10
Rot. Bonds4

About 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile

4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile (PubChem CID 4266918) has the molecular formula C20H14BrClN2O and a molecular weight of 413.70 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
PubChem CID4266918
Molecular FormulaC20H14BrClN2O
Molecular Weight413.70 g/mol
Exact Mass412.00
IUPAC Name4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C20H14BrClN2O/c1-2-25-20-18(12-23)17(14-4-3-5-15(21)10-14)11-19(24-20)13-6-8-16(22)9-7-13/h3-11H,2H2,1H3
InChIKeyQMQQLEZDDRXHCJ-UHFFFAOYSA-N
XLogP6.10
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.70
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
CID 170458771
6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
CID 171429616
2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088555
2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine
CID 14551269
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
CID 57468750
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241532
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
CID 3379851

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile (CID 4266918) is 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile is CCOc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)c1C#N.
What is the InChIKey of 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
The InChIKey is QMQQLEZDDRXHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O/c1-2-25-20-18(12-23)17(14-4-3-5-15(21)10-14)11-19(24-20)13-6-8-16(22)9-7-13/h3-11H,2H2,1H3.
What are the key properties of 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile has a molecular weight of 413.70 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 4266918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).