methyl 6-fluoro-1H-indole-4-carboxylate

C10H8FNO2 — CID 46835634

IUPACmethyl 6-fluoro-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(F)cc2[nH]ccc12
InChIInChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChIKeyCKFPLBCOOZCPOR-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.09
Rot. Bonds1

About methyl 6-fluoro-1H-indole-4-carboxylate

methyl 6-fluoro-1H-indole-4-carboxylate (PubChem CID 46835634) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is methyl 6-fluoro-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-1H-indole-4-carboxylate
PubChem CID46835634
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Namemethyl 6-fluoro-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(F)cc2[nH]ccc12
InChIInChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChIKeyCKFPLBCOOZCPOR-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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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-1H-indole-4-carboxylate?
The IUPAC name of methyl 6-fluoro-1H-indole-4-carboxylate (CID 46835634) is methyl 6-fluoro-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-1H-indole-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-1H-indole-4-carboxylate is COC(=O)c1cc(F)cc2[nH]ccc12.
What is the InChIKey of methyl 6-fluoro-1H-indole-4-carboxylate?
The InChIKey is CKFPLBCOOZCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3.
What are the key properties of methyl 6-fluoro-1H-indole-4-carboxylate?
methyl 6-fluoro-1H-indole-4-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 6-fluoro-1H-indole-4-carboxylate is sourced from PubChem (CID 46835634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).