4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]

C14H17ClN2O3 — CID 168876998

IUPAC4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESClc1cc(OC2CNC2)c2c(n1)C1(CCOC1)OCC2
InChIInChI=1S/C14H17ClN2O3/c15-12-5-11(20-9-6-16-7-9)10-1-3-19-14(13(10)17-12)2-4-18-8-14/h5,9,16H,1-4,6-8H2
InChIKeyFFBFDAALXDYLRG-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.27
Rot. Bonds2

About 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]

4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 168876998) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID168876998
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESClc1cc(OC2CNC2)c2c(n1)C1(CCOC1)OCC2
InChIInChI=1S/C14H17ClN2O3/c15-12-5-11(20-9-6-16-7-9)10-1-3-19-14(13(10)17-12)2-4-18-8-14/h5,9,16H,1-4,6-8H2
InChIKeyFFBFDAALXDYLRG-UHFFFAOYSA-N
XLogP1.27
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (CID 168876998) is 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is Clc1cc(OC2CNC2)c2c(n1)C1(CCOC1)OCC2.
What is the InChIKey of 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is FFBFDAALXDYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-12-5-11(20-9-6-16-7-9)10-1-3-19-14(13(10)17-12)2-4-18-8-14/h5,9,16H,1-4,6-8H2.
What are the key properties of 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 296.75 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 168876998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).