5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine

C14H13BrClN3O — CID 163357183

IUPAC5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine
SMILESClc1cc(Br)cnc1N1CC(COc2cccnc2)C1
InChIInChI=1S/C14H13BrClN3O/c15-11-4-13(16)14(18-5-11)19-7-10(8-19)9-20-12-2-1-3-17-6-12/h1-6,10H,7-9H2
InChIKeyAHNMEEPWLHJIRL-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.41
Rot. Bonds4

About 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine

5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine (PubChem CID 163357183) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine
PubChem CID163357183
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine
SMILESClc1cc(Br)cnc1N1CC(COc2cccnc2)C1
InChIInChI=1S/C14H13BrClN3O/c15-11-4-13(16)14(18-5-11)19-7-10(8-19)9-20-12-2-1-3-17-6-12/h1-6,10H,7-9H2
InChIKeyAHNMEEPWLHJIRL-UHFFFAOYSA-N
XLogP3.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine 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 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine?
The IUPAC name of 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine (CID 163357183) is 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine is Clc1cc(Br)cnc1N1CC(COc2cccnc2)C1.
What is the InChIKey of 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine?
The InChIKey is AHNMEEPWLHJIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c15-11-4-13(16)14(18-5-11)19-7-10(8-19)9-20-12-2-1-3-17-6-12/h1-6,10H,7-9H2.
What are the key properties of 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine?
5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine has a molecular weight of 354.64 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine is sourced from PubChem (CID 163357183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).