methyl 7-fluoro-1H-indole-6-carboxylate

C10H8FNO2 — CID 122705880

IUPACmethyl 7-fluoro-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc[nH]c2c1F
InChIInChI=1S/C10H8FNO2/c1-14-10(13)7-3-2-6-4-5-12-9(6)8(7)11/h2-5,12H,1H3
InChIKeyYNCFIMKFPZAIMY-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.09
Rot. Bonds1

About methyl 7-fluoro-1H-indole-6-carboxylate

methyl 7-fluoro-1H-indole-6-carboxylate (PubChem CID 122705880) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is methyl 7-fluoro-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-1H-indole-6-carboxylate
PubChem CID122705880
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Namemethyl 7-fluoro-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc[nH]c2c1F
InChIInChI=1S/C10H8FNO2/c1-14-10(13)7-3-2-6-4-5-12-9(6)8(7)11/h2-5,12H,1H3
InChIKeyYNCFIMKFPZAIMY-UHFFFAOYSA-N
XLogP2.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
2-amino-1-(7-fluoro-1H-indol-6-yl)ethanone
CID 82374526
methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
CID 126609387
ethane;7-fluoro-6-methyl-1H-indole
CID 144716067
methyl 5-methylsulfonyl-1H-indole-7-carboxylate
CID 58306560
methyl 7-methoxy-1H-indole-4-carboxylate
CID 11020003
methyl 2-(1H-indol-7-ylmethylamino)benzoate
CID 102909440
methyl 2-[(6,7-difluoro-1H-indol-5-yl)oxy]-4-piperazin-1-ylbenzoate
CID 67225439
methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate
CID 24813935
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
methyl 3-bromo-5-fluoro-4-oxo-1H-quinoline-6-carboxylate
CID 166772116
methyl 2-fluoro-3-methyl-4-sulfanylbenzoate
CID 174287296

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-1H-indole-6-carboxylate?
The IUPAC name of methyl 7-fluoro-1H-indole-6-carboxylate (CID 122705880) is methyl 7-fluoro-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 7-fluoro-1H-indole-6-carboxylate?
The canonical SMILES for methyl 7-fluoro-1H-indole-6-carboxylate is COC(=O)c1ccc2cc[nH]c2c1F.
What is the InChIKey of methyl 7-fluoro-1H-indole-6-carboxylate?
The InChIKey is YNCFIMKFPZAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-10(13)7-3-2-6-4-5-12-9(6)8(7)11/h2-5,12H,1H3.
What are the key properties of methyl 7-fluoro-1H-indole-6-carboxylate?
methyl 7-fluoro-1H-indole-6-carboxylate has a molecular weight of 193.18 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-1H-indole-6-carboxylate is sourced from PubChem (CID 122705880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).