ethyl 5-fluoro-1H-indole-2-carboxylate

C11H10FNO2 — CID 2727899

IUPACethyl 5-fluoro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyVIKOQTQMWBKMNA-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.48
Rot. Bonds2

About ethyl 5-fluoro-1H-indole-2-carboxylate

ethyl 5-fluoro-1H-indole-2-carboxylate (PubChem CID 2727899) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is ethyl 5-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1H-indole-2-carboxylate
PubChem CID2727899
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Nameethyl 5-fluoro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyVIKOQTQMWBKMNA-UHFFFAOYSA-N
XLogP2.48
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
CID 1820
5-Methoxyindole-2-carboxylic acid
CID 20401
Propyl beta-carboline-3-carboxylate
CID 123662
5-methyl-1H-indole-2-carboxylic acid
CID 259188
2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
CID 18071365
Methyl Carbazole-3-Carboxylate
CID 504069
Ethyl 5-methoxyindole-2-carboxylate
CID 20926
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
ethyl 5-methyl-1H-indole-2-carboxylate
CID 232919
Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate
CID 563688

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-1H-indole-2-carboxylate (CID 2727899) is ethyl 5-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of ethyl 5-fluoro-1H-indole-2-carboxylate?
The InChIKey is VIKOQTQMWBKMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3.
What are the key properties of ethyl 5-fluoro-1H-indole-2-carboxylate?
ethyl 5-fluoro-1H-indole-2-carboxylate has a molecular weight of 207.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 2727899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).