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

Analyze 5-bromo-3,3-dimethylindole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4,4-dimethyl-2,3-dihydrothiochromene-7-carboxylic acid
CID 91880678
7-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine-8-carboxylic acid
CID 117484663
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
5-bromo-2-methylsulfanylpyridine-4-carboxylic acid
CID 130572390
2,5-dibromo-4-chlorobenzoic acid
CID 118497106
bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 22992387
2-[1-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
CID 67664829
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
2-bromo-4,5-bis(trifluoromethyl)benzoic acid
CID 118801484
2-bromo-5-chloro-4-hydroxybenzoic acid
CID 131397859
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897

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).