5-bromo-3,3-dimethylindole-6-carboxylic acid

C11H10BrNO2 — CID 175789421

IUPAC5-bromo-3,3-dimethylindole-6-carboxylic acid
SMILESCC1(C)C=Nc2cc(C(=O)O)c(Br)cc21
InChIInChI=1S/C11H10BrNO2/c1-11(2)5-13-9-3-6(10(14)15)8(12)4-7(9)11/h3-5H,1-2H3,(H,14,15)
InChIKeySFGJBPIACCGDIO-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.14
Rot. Bonds1

About 5-bromo-3,3-dimethylindole-6-carboxylic acid

5-bromo-3,3-dimethylindole-6-carboxylic acid (PubChem CID 175789421) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-3,3-dimethylindole-6-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3,3-dimethylindole-6-carboxylic acid
PubChem CID175789421
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name5-bromo-3,3-dimethylindole-6-carboxylic acid
SMILESCC1(C)C=Nc2cc(C(=O)O)c(Br)cc21
InChIInChI=1S/C11H10BrNO2/c1-11(2)5-13-9-3-6(10(14)15)8(12)4-7(9)11/h3-5H,1-2H3,(H,14,15)
InChIKeySFGJBPIACCGDIO-UHFFFAOYSA-N
XLogP3.14
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-dimethylindole-6-carboxylic acid?
The IUPAC name of 5-bromo-3,3-dimethylindole-6-carboxylic acid (CID 175789421) is 5-bromo-3,3-dimethylindole-6-carboxylic acid.
What is the SMILES notation for 5-bromo-3,3-dimethylindole-6-carboxylic acid?
The canonical SMILES for 5-bromo-3,3-dimethylindole-6-carboxylic acid is CC1(C)C=Nc2cc(C(=O)O)c(Br)cc21.
What is the InChIKey of 5-bromo-3,3-dimethylindole-6-carboxylic acid?
The InChIKey is SFGJBPIACCGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-11(2)5-13-9-3-6(10(14)15)8(12)4-7(9)11/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-bromo-3,3-dimethylindole-6-carboxylic acid?
5-bromo-3,3-dimethylindole-6-carboxylic acid has a molecular weight of 268.11 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-dimethylindole-6-carboxylic acid is sourced from PubChem (CID 175789421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).