methyl 6-fluoro-2H-indole-5-carboxylate

C10H8FNO2 — CID 150743225

IUPACmethyl 6-fluoro-2H-indole-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)=NCC=2
InChIInChI=1S/C10H8FNO2/c1-14-10(13)7-4-6-2-3-12-9(6)5-8(7)11/h2,4-5H,3H2,1H3
InChIKeyJUHKLNVVLDQREE-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.03
Rot. Bonds1

About methyl 6-fluoro-2H-indole-5-carboxylate

methyl 6-fluoro-2H-indole-5-carboxylate (PubChem CID 150743225) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is methyl 6-fluoro-2H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2H-indole-5-carboxylate
PubChem CID150743225
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Namemethyl 6-fluoro-2H-indole-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)=NCC=2
InChIInChI=1S/C10H8FNO2/c1-14-10(13)7-4-6-2-3-12-9(6)5-8(7)11/h2,4-5H,3H2,1H3
InChIKeyJUHKLNVVLDQREE-UHFFFAOYSA-N
XLogP0.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-oxoindole-6-carboxylate
CID 53400341
methyl (4E)-4-ethylidene-5-fluoro-3-iminocyclohexa-1,5-diene-1-carboxylate
CID 144524458
Methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate
CID 163796855
ethyl (2R)-4-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478386
ethyl (2S)-4-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478387
ethyl (2R)-6-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478388
ethyl (2S)-6-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478389
ethyl (2R)-5-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478390
ethyl (2S)-5-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478391
methyl 7-fluoro-2H-indole-4-carboxylate
CID 129601468
methyl 5-bromo-6-fluoro-2H-indole-3-carboxylate
CID 129601493
Methyl 2-oxoindole-5-carboxylate
CID 46739851

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2H-indole-5-carboxylate?
The IUPAC name of methyl 6-fluoro-2H-indole-5-carboxylate (CID 150743225) is methyl 6-fluoro-2H-indole-5-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2H-indole-5-carboxylate?
The canonical SMILES for methyl 6-fluoro-2H-indole-5-carboxylate is COC(=O)c1cc2c(cc1F)=NCC=2.
What is the InChIKey of methyl 6-fluoro-2H-indole-5-carboxylate?
The InChIKey is JUHKLNVVLDQREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-10(13)7-4-6-2-3-12-9(6)5-8(7)11/h2,4-5H,3H2,1H3.
What are the key properties of methyl 6-fluoro-2H-indole-5-carboxylate?
methyl 6-fluoro-2H-indole-5-carboxylate has a molecular weight of 193.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2H-indole-5-carboxylate is sourced from PubChem (CID 150743225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).