methyl 2-(2-bromo-1H-indol-3-yl)acetate

C11H10BrNO2 — CID 27281283

IUPACmethyl 2-(2-bromo-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(Br)[nH]c2ccccc12
InChIInChI=1S/C11H10BrNO2/c1-15-10(14)6-8-7-4-2-3-5-9(7)13-11(8)12/h2-5,13H,6H2,1H3
InChIKeyPJILRCSPRGMWLW-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.65
Rot. Bonds2

About methyl 2-(2-bromo-1H-indol-3-yl)acetate

methyl 2-(2-bromo-1H-indol-3-yl)acetate (PubChem CID 27281283) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl 2-(2-bromo-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-1H-indol-3-yl)acetate
PubChem CID27281283
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl 2-(2-bromo-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(Br)[nH]c2ccccc12
InChIInChI=1S/C11H10BrNO2/c1-15-10(14)6-8-7-4-2-3-5-9(7)13-11(8)12/h2-5,13H,6H2,1H3
InChIKeyPJILRCSPRGMWLW-UHFFFAOYSA-N
XLogP2.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 2-(2-bromo-1H-indol-3-yl)acetate 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

methyl 2-[2-(benzylamino)-1H-indol-3-yl]acetate
CID 57046316
methyl 2-[2-(9-methylfluoren-9-yl)-1H-indol-3-yl]acetate
CID 10737707
methyl 2-[2-[(E)-oct-4-en-4-yl]-1H-indol-3-yl]acetate
CID 46868381
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
CID 15343755
1-O-tert-butyl 4-O-methyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]butanedioate
CID 10742896
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
methyl 2-[[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]methyl]-3-methyl-1,2-dihydroindole-3-carboxylate
CID 174620706
methyl 3-(4-methoxy-4-oxobutyl)-1H-indole-2-carboxylate
CID 68579658
[3-(3-methoxy-3-oxopropyl)-1H-indol-2-yl]-trimethylazanium iodide
CID 45049272
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
methyl 2-(4-aminonaphthalen-1-yl)acetate;hydrochloride
CID 44533305

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(2-bromo-1H-indol-3-yl)acetate (CID 27281283) is methyl 2-(2-bromo-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(2-bromo-1H-indol-3-yl)acetate is COC(=O)Cc1c(Br)[nH]c2ccccc12.
What is the InChIKey of methyl 2-(2-bromo-1H-indol-3-yl)acetate?
The InChIKey is PJILRCSPRGMWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-15-10(14)6-8-7-4-2-3-5-9(7)13-11(8)12/h2-5,13H,6H2,1H3.
What are the key properties of methyl 2-(2-bromo-1H-indol-3-yl)acetate?
methyl 2-(2-bromo-1H-indol-3-yl)acetate has a molecular weight of 268.11 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-1H-indol-3-yl)acetate is sourced from PubChem (CID 27281283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).