5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid

C11H12BrNO2 — CID 156819150

IUPAC5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid
SMILESCN1CC(C)(C(=O)O)c2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2/c1-11(10(14)15)6-13(2)9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyQYBZGRQHMVVMLM-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.24
Rot. Bonds1

About 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid

5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid (PubChem CID 156819150) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid
PubChem CID156819150
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid
SMILESCN1CC(C)(C(=O)O)c2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2/c1-11(10(14)15)6-13(2)9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyQYBZGRQHMVVMLM-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1,3-dimethyl-2H-indole-3-carboxamide
CID 156818902
ethyl 5-bromo-1,3-dimethyl-2H-indole-3-carboxylate
CID 156819000
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
6-bromo-4-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 84730081
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
acetaldehyde;tert-butyl 5-bromo-1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;ethane
CID 143192754
6-bromo-2,2,4-trimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644770
(4S)-1,4,6-trimethyl-2-oxo-3H-quinoline-4-carboxylic acid
CID 95002264
7-bromo-1-methyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
CID 18472263
5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one
CID 170376462
5-bromo-1-(hydroxymethyl)-3,3-dimethylindol-2-one
CID 58031734
5-bromo-2-(3,3-dimethoxyazetidin-1-yl)benzoic acid
CID 79694751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid?
The IUPAC name of 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid (CID 156819150) is 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid?
The canonical SMILES for 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid is CN1CC(C)(C(=O)O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid?
The InChIKey is QYBZGRQHMVVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-11(10(14)15)6-13(2)9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid?
5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-2H-indole-3-carboxylic acid is sourced from PubChem (CID 156819150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).