2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine

C14H12ClFN2O — CID 86685248

IUPAC2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine
SMILESFc1ccc(OC2CN(c3ccnc(Cl)c3)C2)cc1
InChIInChI=1S/C14H12ClFN2O/c15-14-7-11(5-6-17-14)18-8-13(9-18)19-12-3-1-10(16)2-4-12/h1-7,13H,8-9H2
InChIKeyMSLLCCKDIVMYJI-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.14
Rot. Bonds3

About 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine

2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine (PubChem CID 86685248) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine
PubChem CID86685248
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine
SMILESFc1ccc(OC2CN(c3ccnc(Cl)c3)C2)cc1
InChIInChI=1S/C14H12ClFN2O/c15-14-7-11(5-6-17-14)18-8-13(9-18)19-12-3-1-10(16)2-4-12/h1-7,13H,8-9H2
InChIKeyMSLLCCKDIVMYJI-UHFFFAOYSA-N
XLogP3.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
The IUPAC name of 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine (CID 86685248) is 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine is Fc1ccc(OC2CN(c3ccnc(Cl)c3)C2)cc1.
What is the InChIKey of 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
The InChIKey is MSLLCCKDIVMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-14-7-11(5-6-17-14)18-8-13(9-18)19-12-3-1-10(16)2-4-12/h1-7,13H,8-9H2.
What are the key properties of 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine?
2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine has a molecular weight of 278.71 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine is sourced from PubChem (CID 86685248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).