2-(6-bromo-1H-indol-2-yl)benzonitrile

C15H9BrN2 — CID 155670182

IUPAC2-(6-bromo-1H-indol-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C15H9BrN2/c16-12-6-5-10-7-15(18-14(10)8-12)13-4-2-1-3-11(13)9-17/h1-8,18H
InChIKeyUSKWZIHFSPSFQC-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.47
Rot. Bonds1

About 2-(6-bromo-1H-indol-2-yl)benzonitrile

2-(6-bromo-1H-indol-2-yl)benzonitrile (PubChem CID 155670182) has the molecular formula C15H9BrN2 and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-2-yl)benzonitrile
PubChem CID155670182
Molecular FormulaC15H9BrN2
Molecular Weight297.16 g/mol
Exact Mass295.99
IUPAC Name2-(6-bromo-1H-indol-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C15H9BrN2/c16-12-6-5-10-7-15(18-14(10)8-12)13-4-2-1-3-11(13)9-17/h1-8,18H
InChIKeyUSKWZIHFSPSFQC-UHFFFAOYSA-N
XLogP4.47
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-2-yl)benzonitrile?
The IUPAC name of 2-(6-bromo-1H-indol-2-yl)benzonitrile (CID 155670182) is 2-(6-bromo-1H-indol-2-yl)benzonitrile.
What is the SMILES notation for 2-(6-bromo-1H-indol-2-yl)benzonitrile?
The canonical SMILES for 2-(6-bromo-1H-indol-2-yl)benzonitrile is N#Cc1ccccc1-c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-1H-indol-2-yl)benzonitrile?
The InChIKey is USKWZIHFSPSFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2/c16-12-6-5-10-7-15(18-14(10)8-12)13-4-2-1-3-11(13)9-17/h1-8,18H.
What are the key properties of 2-(6-bromo-1H-indol-2-yl)benzonitrile?
2-(6-bromo-1H-indol-2-yl)benzonitrile has a molecular weight of 297.16 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-2-yl)benzonitrile is sourced from PubChem (CID 155670182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).