7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole

C15H13FN2O — CID 117183745

IUPAC7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
SMILESCn1c(COc2cccnc2)cc2cccc(F)c21
InChIInChI=1S/C15H13FN2O/c1-18-12(10-19-13-5-3-7-17-9-13)8-11-4-2-6-14(16)15(11)18/h2-9H,10H2,1H3
InChIKeyWSQHJBYHIGKZLH-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.29
Rot. Bonds3

About 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole

7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole (PubChem CID 117183745) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole.

Molecular Properties

Compound Name7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
PubChem CID117183745
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
SMILESCn1c(COc2cccnc2)cc2cccc(F)c21
InChIInChI=1S/C15H13FN2O/c1-18-12(10-19-13-5-3-7-17-9-13)8-11-4-2-6-14(16)15(11)18/h2-9H,10H2,1H3
InChIKeyWSQHJBYHIGKZLH-UHFFFAOYSA-N
XLogP3.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole?
The IUPAC name of 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole (CID 117183745) is 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole.
What is the SMILES notation for 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole?
The canonical SMILES for 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole is Cn1c(COc2cccnc2)cc2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole?
The InChIKey is WSQHJBYHIGKZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-18-12(10-19-13-5-3-7-17-9-13)8-11-4-2-6-14(16)15(11)18/h2-9H,10H2,1H3.
What are the key properties of 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole?
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole has a molecular weight of 256.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole is sourced from PubChem (CID 117183745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).