ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate

C12H12FNO3 — CID 168946890

IUPACethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)cc(F)c2[nH]1
InChIInChI=1S/C12H12FNO3/c1-3-17-12(15)10-5-7-4-8(16-2)6-9(13)11(7)14-10/h4-6,14H,3H2,1-2H3
InChIKeyFIKUQXXJKSJGQY-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.49
Rot. Bonds3

About ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate

ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate (PubChem CID 168946890) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
PubChem CID168946890
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Nameethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)cc(F)c2[nH]1
InChIInChI=1S/C12H12FNO3/c1-3-17-12(15)10-5-7-4-8(16-2)6-9(13)11(7)14-10/h4-6,14H,3H2,1-2H3
InChIKeyFIKUQXXJKSJGQY-UHFFFAOYSA-N
XLogP2.49
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 164549234
ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
CID 15231750
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethyl 5-cyano-7-methoxy-1H-indole-2-carboxylate
CID 165348341
ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol
CID 143825662
ethyl 7-amino-5-(methylsulfanylmethoxy)-1H-indole-2-carboxylate
CID 59428733
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
ethyl 3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate
CID 76571776
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 5-(2-methoxyethoxy)-7-nitro-1H-indole-2-carboxylate
CID 57476190
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate (CID 168946890) is ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(OC)cc(F)c2[nH]1.
What is the InChIKey of ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate?
The InChIKey is FIKUQXXJKSJGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-3-17-12(15)10-5-7-4-8(16-2)6-9(13)11(7)14-10/h4-6,14H,3H2,1-2H3.
What are the key properties of ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate?
ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate has a molecular weight of 237.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 168946890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).