methyl 3-fluoroindole-6-carboxylate

C10H6FNO2 — CID 91109342

IUPACmethyl 3-fluoroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N=C=C2F
InChIInChI=1S/C10H6FNO2/c1-14-10(13)6-2-3-7-8(11)5-12-9(7)4-6/h2-4H,1H3
InChIKeyHLBSPVXHNOKPOQ-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.10
Rot. Bonds1

About methyl 3-fluoroindole-6-carboxylate

methyl 3-fluoroindole-6-carboxylate (PubChem CID 91109342) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is methyl 3-fluoroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoroindole-6-carboxylate
PubChem CID91109342
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Namemethyl 3-fluoroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N=C=C2F
InChIInChI=1S/C10H6FNO2/c1-14-10(13)6-2-3-7-8(11)5-12-9(7)4-6/h2-4H,1H3
InChIKeyHLBSPVXHNOKPOQ-UHFFFAOYSA-N
XLogP2.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoroindole-6-carboxylate?
The IUPAC name of methyl 3-fluoroindole-6-carboxylate (CID 91109342) is methyl 3-fluoroindole-6-carboxylate.
What is the SMILES notation for methyl 3-fluoroindole-6-carboxylate?
The canonical SMILES for methyl 3-fluoroindole-6-carboxylate is COC(=O)c1ccc2c(c1)N=C=C2F.
What is the InChIKey of methyl 3-fluoroindole-6-carboxylate?
The InChIKey is HLBSPVXHNOKPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c1-14-10(13)6-2-3-7-8(11)5-12-9(7)4-6/h2-4H,1H3.
What are the key properties of methyl 3-fluoroindole-6-carboxylate?
methyl 3-fluoroindole-6-carboxylate has a molecular weight of 191.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoroindole-6-carboxylate is sourced from PubChem (CID 91109342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).