2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine

C14H19ClN2O3 — CID 126485863

IUPAC2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine
SMILESCOc1cnc(Cl)cc1N1CC(OC2CCCCO2)C1
InChIInChI=1S/C14H19ClN2O3/c1-18-12-7-16-13(15)6-11(12)17-8-10(9-17)20-14-4-2-3-5-19-14/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyMVCAJKJWGVJVMI-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine

2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine (PubChem CID 126485863) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine
PubChem CID126485863
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine
SMILESCOc1cnc(Cl)cc1N1CC(OC2CCCCO2)C1
InChIInChI=1S/C14H19ClN2O3/c1-18-12-7-16-13(15)6-11(12)17-8-10(9-17)20-14-4-2-3-5-19-14/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyMVCAJKJWGVJVMI-UHFFFAOYSA-N
XLogP2.48
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)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 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine?
The IUPAC name of 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine (CID 126485863) is 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine is COc1cnc(Cl)cc1N1CC(OC2CCCCO2)C1.
What is the InChIKey of 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine?
The InChIKey is MVCAJKJWGVJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-18-12-7-16-13(15)6-11(12)17-8-10(9-17)20-14-4-2-3-5-19-14/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine?
2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine has a molecular weight of 298.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-[3-(oxan-2-yloxy)azetidin-1-yl]pyridine is sourced from PubChem (CID 126485863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).