ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate

C11H9ClFNO2 — CID 22934819

IUPACethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(Cl)cc2c1F
InChIInChI=1S/C11H9ClFNO2/c1-2-16-11(15)10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3
InChIKeyHMOGVXBNDDLSBW-UHFFFAOYSA-N
MW241.65 g/mol
LogP3.14
Rot. Bonds2

About ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate

ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate (PubChem CID 22934819) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate
PubChem CID22934819
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Nameethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(Cl)cc2c1F
InChIInChI=1S/C11H9ClFNO2/c1-2-16-11(15)10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3
InChIKeyHMOGVXBNDDLSBW-UHFFFAOYSA-N
XLogP3.14
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate (CID 22934819) is ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(Cl)cc2c1F.
What is the InChIKey of ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate?
The InChIKey is HMOGVXBNDDLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-2-16-11(15)10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3.
What are the key properties of ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate?
ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate has a molecular weight of 241.65 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-3-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 22934819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).