2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile

C15H9BrN2O — CID 129098348

IUPAC2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3cc(Br)ccc3O)cc2c1
InChIInChI=1S/C15H9BrN2O/c16-11-2-4-15(19)12(7-11)14-6-10-5-9(8-17)1-3-13(10)18-14/h1-7,18-19H
InChIKeyPHXSCSAKEIGSNG-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.17
Rot. Bonds1

About 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile

2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile (PubChem CID 129098348) has the molecular formula C15H9BrN2O and a molecular weight of 313.15 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile
PubChem CID129098348
Molecular FormulaC15H9BrN2O
Molecular Weight313.15 g/mol
Exact Mass311.99
IUPAC Name2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3cc(Br)ccc3O)cc2c1
InChIInChI=1S/C15H9BrN2O/c16-11-2-4-15(19)12(7-11)14-6-10-5-9(8-17)1-3-13(10)18-14/h1-7,18-19H
InChIKeyPHXSCSAKEIGSNG-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1H-indole-5-carbonitrile
CID 156814212
ethane;2-methyl-1H-indole-5-carbonitrile
CID 143849971
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
2-(6-bromo-1H-indol-2-yl)benzonitrile
CID 155670182
3-methyl-4-[2-(4-methylthiophen-3-yl)-1H-indol-5-yl]benzonitrile
CID 58200691
7-bromophenanthrene-2-carbonitrile
CID 129104826
3-chloro-4-(1H-indol-2-yl)benzonitrile
CID 54373551
5-bromo-2-(2-chlorophenyl)-1H-indole
CID 58200676
2-formyl-1H-indole-5-carbonitrile
CID 11579193
2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004257
2-(5-cyano-1H-indol-2-yl)acetic acid
CID 131305080
3-[(Z)-2-(5-bromo-1H-indol-3-yl)-2-cyanoethenyl]-4-hydroxybenzonitrile
CID 90203858

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile (CID 129098348) is 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(-c3cc(Br)ccc3O)cc2c1.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile?
The InChIKey is PHXSCSAKEIGSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O/c16-11-2-4-15(19)12(7-11)14-6-10-5-9(8-17)1-3-13(10)18-14/h1-7,18-19H.
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile?
2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile has a molecular weight of 313.15 g/mol, XLogP of 4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 129098348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).