6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile

C22H19BrN2O3 — CID 170458771

IUPAC6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(Br)cc2)cc(-c2ccc(OC)c(OC)c2)c1C#N
InChIInChI=1S/C22H19BrN2O3/c1-4-28-22-18(13-24)17(15-7-10-20(26-2)21(11-15)27-3)12-19(25-22)14-5-8-16(23)9-6-14/h5-12H,4H2,1-3H3
InChIKeyUNJMVQANRMKMQS-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.47
Rot. Bonds6

About 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile

6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile (PubChem CID 170458771) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
PubChem CID170458771
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(Br)cc2)cc(-c2ccc(OC)c(OC)c2)c1C#N
InChIInChI=1S/C22H19BrN2O3/c1-4-28-22-18(13-24)17(15-7-10-20(26-2)21(11-15)27-3)12-19(25-22)14-5-8-16(23)9-6-14/h5-12H,4H2,1-3H3
InChIKeyUNJMVQANRMKMQS-UHFFFAOYSA-N
XLogP5.47
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
CID 4266918
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 8615264
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile
CID 7378054
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 143926979
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile (CID 170458771) is 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile is CCOc1nc(-c2ccc(Br)cc2)cc(-c2ccc(OC)c(OC)c2)c1C#N.
What is the InChIKey of 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile?
The InChIKey is UNJMVQANRMKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-4-28-22-18(13-24)17(15-7-10-20(26-2)21(11-15)27-3)12-19(25-22)14-5-8-16(23)9-6-14/h5-12H,4H2,1-3H3.
What are the key properties of 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile?
6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile has a molecular weight of 439.31 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 170458771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).