2-(3-bromo-1H-indol-2-yl)ethyl formate

C11H10BrNO2 — CID 174585804

IUPAC2-(3-bromo-1H-indol-2-yl)ethyl formate
SMILESO=COCCc1[nH]c2ccccc2c1Br
InChIInChI=1S/C11H10BrNO2/c12-11-8-3-1-2-4-9(8)13-10(11)5-6-15-7-14/h1-4,7,13H,5-6H2
InChIKeyHHUFAPPJYBISCJ-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.65
Rot. Bonds4

About 2-(3-bromo-1H-indol-2-yl)ethyl formate

2-(3-bromo-1H-indol-2-yl)ethyl formate (PubChem CID 174585804) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(3-bromo-1H-indol-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(3-bromo-1H-indol-2-yl)ethyl formate
PubChem CID174585804
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-(3-bromo-1H-indol-2-yl)ethyl formate
SMILESO=COCCc1[nH]c2ccccc2c1Br
InChIInChI=1S/C11H10BrNO2/c12-11-8-3-1-2-4-9(8)13-10(11)5-6-15-7-14/h1-4,7,13H,5-6H2
InChIKeyHHUFAPPJYBISCJ-UHFFFAOYSA-N
XLogP2.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
(3-bromo-1H-indol-2-yl)methyl-triphenylphosphanium
CID 177284134
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
CID 87256999
3-(2-methoxyethyl)-1H-indole-2-carbaldehyde
CID 121011064
(2-chloro-1H-indol-3-yl) formate
CID 88648935
18-phenyloctadecyl formate
CID 173425595
2-(8-bromo-4-oxochromen-2-yl)ethyl formate
CID 175242847
phosphanyl 3-bromo-1H-indole-2-carboxylate
CID 59493991
methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate
CID 24988540
3-bromo-1H-indole-2-carboxylate
CID 2325687
2-cyclohexyloxyethyl 3-bromo-1H-indole-2-carboxylate
CID 166189743
2-(3-formyl-1H-indol-2-yl)acetic acid
CID 14636516

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1H-indol-2-yl)ethyl formate?
The IUPAC name of 2-(3-bromo-1H-indol-2-yl)ethyl formate (CID 174585804) is 2-(3-bromo-1H-indol-2-yl)ethyl formate.
What is the SMILES notation for 2-(3-bromo-1H-indol-2-yl)ethyl formate?
The canonical SMILES for 2-(3-bromo-1H-indol-2-yl)ethyl formate is O=COCCc1[nH]c2ccccc2c1Br.
What is the InChIKey of 2-(3-bromo-1H-indol-2-yl)ethyl formate?
The InChIKey is HHUFAPPJYBISCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-11-8-3-1-2-4-9(8)13-10(11)5-6-15-7-14/h1-4,7,13H,5-6H2.
What are the key properties of 2-(3-bromo-1H-indol-2-yl)ethyl formate?
2-(3-bromo-1H-indol-2-yl)ethyl formate has a molecular weight of 268.11 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1H-indol-2-yl)ethyl formate is sourced from PubChem (CID 174585804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).