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

C11H10FNO3 — CID 54706936

IUPACethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cccc(F)c2c1O
InChIInChI=1S/C11H10FNO3/c1-2-16-11(15)9-10(14)8-6(12)4-3-5-7(8)13-9/h3-5,13-14H,2H2,1H3
InChIKeyYPSRIDAUDXKVIS-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.19
Rot. Bonds2

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

ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate (PubChem CID 54706936) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
PubChem CID54706936
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Nameethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cccc(F)c2c1O
InChIInChI=1S/C11H10FNO3/c1-2-16-11(15)9-10(14)8-6(12)4-3-5-7(8)13-9/h3-5,13-14H,2H2,1H3
InChIKeyYPSRIDAUDXKVIS-UHFFFAOYSA-N
XLogP2.19
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
CID 54708469
ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate
CID 59626434
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate
CID 86224580
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
tert-butyl 3-amino-4-fluoro-1H-indole-2-carboxylate
CID 58788422
ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
CID 46311365
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate
CID 4580008
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 3,5-difluoro-1H-pyrrole-2-carboxylate
CID 141419828
ethyl 4-bromo-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate
CID 67316463

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate (CID 54706936) is ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cccc(F)c2c1O.
What is the InChIKey of ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate?
The InChIKey is YPSRIDAUDXKVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/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-fluoro-3-hydroxy-1H-indole-2-carboxylate?
ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate is sourced from PubChem (CID 54706936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).