2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid

C15H16BrNO2 — CID 514261

IUPAC2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1
InChIInChI=1S/C15H16BrNO2/c16-14-13(9-4-2-1-3-5-9)11-7-6-10(15(18)19)8-12(11)17-14/h6-9,17H,1-5H2,(H,18,19)
InChIKeyZVUVBRNZBOZLBU-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.68
Rot. Bonds2

About 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid

2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid (PubChem CID 514261) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid
PubChem CID514261
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1
InChIInChI=1S/C15H16BrNO2/c16-14-13(9-4-2-1-3-5-9)11-7-6-10(15(18)19)8-12(11)17-14/h6-9,17H,1-5H2,(H,18,19)
InChIKeyZVUVBRNZBOZLBU-UHFFFAOYSA-N
XLogP4.68
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid?
The IUPAC name of 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid (CID 514261) is 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid?
The canonical SMILES for 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.
What is the InChIKey of 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid?
The InChIKey is ZVUVBRNZBOZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-14-13(9-4-2-1-3-5-9)11-7-6-10(15(18)19)8-12(11)17-14/h6-9,17H,1-5H2,(H,18,19).
What are the key properties of 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid?
2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid has a molecular weight of 322.20 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 514261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).