2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile

C20H16BrN3 — CID 3396959

IUPAC2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C20H16BrN3/c1-12-3-8-16(13(2)9-12)17-10-19(24-20(23)18(17)11-22)14-4-6-15(21)7-5-14/h3-10H,1-2H3,(H2,23,24)
InChIKeyIUXZXUAXBUYBIO-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.25
Rot. Bonds2

About 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile (PubChem CID 3396959) has the molecular formula C20H16BrN3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
PubChem CID3396959
Molecular FormulaC20H16BrN3
Molecular Weight378.27 g/mol
Exact Mass377.05
IUPAC Name2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C20H16BrN3/c1-12-3-8-16(13(2)9-12)17-10-19(24-20(23)18(17)11-22)14-4-6-15(21)7-5-14/h3-10H,1-2H3,(H2,23,24)
InChIKeyIUXZXUAXBUYBIO-UHFFFAOYSA-N
XLogP5.25
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile (CID 3396959) is 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile?
The InChIKey is IUXZXUAXBUYBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3/c1-12-3-8-16(13(2)9-12)17-10-19(24-20(23)18(17)11-22)14-4-6-15(21)7-5-14/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile has a molecular weight of 378.27 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3396959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).