5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole

C15H13ClN2O — CID 117175188

IUPAC5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
SMILESCn1cc(COc2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2O/c1-18-9-11(10-19-13-3-2-6-17-8-13)14-7-12(16)4-5-15(14)18/h2-9H,10H2,1H3
InChIKeyOIGARYCXHLWFQL-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.81
Rot. Bonds3

About 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole

5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole (PubChem CID 117175188) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole.

Molecular Properties

Compound Name5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
PubChem CID117175188
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
SMILESCn1cc(COc2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2O/c1-18-9-11(10-19-13-3-2-6-17-8-13)14-7-12(16)4-5-15(14)18/h2-9H,10H2,1H3
InChIKeyOIGARYCXHLWFQL-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole?
The IUPAC name of 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole (CID 117175188) is 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole.
What is the SMILES notation for 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole?
The canonical SMILES for 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole is Cn1cc(COc2cccnc2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole?
The InChIKey is OIGARYCXHLWFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-18-9-11(10-19-13-3-2-6-17-8-13)14-7-12(16)4-5-15(14)18/h2-9H,10H2,1H3.
What are the key properties of 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole?
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole has a molecular weight of 272.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole is sourced from PubChem (CID 117175188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).