ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate

C11H10BrNO3 — CID 54708469

IUPACethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cccc(Br)c2c1O
InChIInChI=1S/C11H10BrNO3/c1-2-16-11(15)9-10(14)8-6(12)4-3-5-7(8)13-9/h3-5,13-14H,2H2,1H3
InChIKeyLILZLZSTMNXUEN-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.81
Rot. Bonds2

About ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate

ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate (PubChem CID 54708469) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
PubChem CID54708469
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Nameethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cccc(Br)c2c1O
InChIInChI=1S/C11H10BrNO3/c1-2-16-11(15)9-10(14)8-6(12)4-3-5-7(8)13-9/h3-5,13-14H,2H2,1H3
InChIKeyLILZLZSTMNXUEN-UHFFFAOYSA-N
XLogP2.81
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
CID 54706936
ethyl 4-bromo-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate
CID 67316463
3-amino-4-bromo-1H-indole-2-carboxylic acid
CID 84804837
methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
ethyl 4-tert-butyl-3-phenyl-1H-indole-2-carboxylate
CID 69353100
1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
CID 82382387
(4-bromo-1H-indol-2-yl) ethyl carbonate
CID 129158532
ethyl 4-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate
CID 12852038
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
ethyl 4-bromo-7-methyl-1-benzofuran-3-carboxylate
CID 107287190
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate (CID 54708469) is ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cccc(Br)c2c1O.
What is the InChIKey of ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate?
The InChIKey is LILZLZSTMNXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-2-16-11(15)9-10(14)8-6(12)4-3-5-7(8)13-9/h3-5,13-14H,2H2,1H3.
What are the key properties of ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate?
ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate has a molecular weight of 284.11 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate is sourced from PubChem (CID 54708469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).