methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate

C12H12FNO3 — CID 122519520

IUPACmethyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate
SMILESCOC(=O)n1c(C)cc2cc(OC)cc(F)c21
InChIInChI=1S/C12H12FNO3/c1-7-4-8-5-9(16-2)6-10(13)11(8)14(7)12(15)17-3/h4-6H,1-3H3
InChIKeyZMNCLJAGJSFCKX-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.71
Rot. Bonds1

About methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate

methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate (PubChem CID 122519520) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate
PubChem CID122519520
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Namemethyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate
SMILESCOC(=O)n1c(C)cc2cc(OC)cc(F)c21
InChIInChI=1S/C12H12FNO3/c1-7-4-8-5-9(16-2)6-10(13)11(8)14(7)12(15)17-3/h4-6H,1-3H3
InChIKeyZMNCLJAGJSFCKX-UHFFFAOYSA-N
XLogP2.71
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate?
The IUPAC name of methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate (CID 122519520) is methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate.
What is the SMILES notation for methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate?
The canonical SMILES for methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate is COC(=O)n1c(C)cc2cc(OC)cc(F)c21.
What is the InChIKey of methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate?
The InChIKey is ZMNCLJAGJSFCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-7-4-8-5-9(16-2)6-10(13)11(8)14(7)12(15)17-3/h4-6H,1-3H3.
What are the key properties of methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate?
methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate has a molecular weight of 237.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate is sourced from PubChem (CID 122519520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).