2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile

C20H13BrN4 — CID 10572392

IUPAC2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3ccccc23)cc(-c2ccc(Br)cc2)nc1N
InChIInChI=1S/C20H13BrN4/c21-13-7-5-12(6-8-13)19-9-15(16(10-22)20(23)25-19)17-11-24-18-4-2-1-3-14(17)18/h1-9,11,24H,(H2,23,25)
InChIKeyWJJHKQGPPLYOFD-UHFFFAOYSA-N
MW389.26 g/mol
LogP5.11
Rot. Bonds2

About 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile (PubChem CID 10572392) has the molecular formula C20H13BrN4 and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
PubChem CID10572392
Molecular FormulaC20H13BrN4
Molecular Weight389.26 g/mol
Exact Mass388.03
IUPAC Name2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3ccccc23)cc(-c2ccc(Br)cc2)nc1N
InChIInChI=1S/C20H13BrN4/c21-13-7-5-12(6-8-13)19-9-15(16(10-22)20(23)25-19)17-11-24-18-4-2-1-3-14(17)18/h1-9,11,24H,(H2,23,25)
InChIKeyWJJHKQGPPLYOFD-UHFFFAOYSA-N
XLogP5.11
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile (CID 10572392) is 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile is N#Cc1c(-c2c[nH]c3ccccc23)cc(-c2ccc(Br)cc2)nc1N.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile?
The InChIKey is WJJHKQGPPLYOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4/c21-13-7-5-12(6-8-13)19-9-15(16(10-22)20(23)25-19)17-11-24-18-4-2-1-3-14(17)18/h1-9,11,24H,(H2,23,25).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile has a molecular weight of 389.26 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 10572392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).