3-chloro-5-(oxan-3-yloxy)pyridazine

C9H11ClN2O2 — CID 71302949

IUPAC3-chloro-5-(oxan-3-yloxy)pyridazine
SMILESClc1cc(OC2CCCOC2)cnn1
InChIInChI=1S/C9H11ClN2O2/c10-9-4-8(5-11-12-9)14-7-2-1-3-13-6-7/h4-5,7H,1-3,6H2
InChIKeyHVSWQGFKSVNHOV-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.69
Rot. Bonds2

About 3-chloro-5-(oxan-3-yloxy)pyridazine

3-chloro-5-(oxan-3-yloxy)pyridazine (PubChem CID 71302949) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-chloro-5-(oxan-3-yloxy)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(oxan-3-yloxy)pyridazine
PubChem CID71302949
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-chloro-5-(oxan-3-yloxy)pyridazine
SMILESClc1cc(OC2CCCOC2)cnn1
InChIInChI=1S/C9H11ClN2O2/c10-9-4-8(5-11-12-9)14-7-2-1-3-13-6-7/h4-5,7H,1-3,6H2
InChIKeyHVSWQGFKSVNHOV-UHFFFAOYSA-N
XLogP1.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(oxan-3-yloxy)pyridazine?
The IUPAC name of 3-chloro-5-(oxan-3-yloxy)pyridazine (CID 71302949) is 3-chloro-5-(oxan-3-yloxy)pyridazine.
What is the SMILES notation for 3-chloro-5-(oxan-3-yloxy)pyridazine?
The canonical SMILES for 3-chloro-5-(oxan-3-yloxy)pyridazine is Clc1cc(OC2CCCOC2)cnn1.
What is the InChIKey of 3-chloro-5-(oxan-3-yloxy)pyridazine?
The InChIKey is HVSWQGFKSVNHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-9-4-8(5-11-12-9)14-7-2-1-3-13-6-7/h4-5,7H,1-3,6H2.
What are the key properties of 3-chloro-5-(oxan-3-yloxy)pyridazine?
3-chloro-5-(oxan-3-yloxy)pyridazine has a molecular weight of 214.65 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(oxan-3-yloxy)pyridazine is sourced from PubChem (CID 71302949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).