3-chloro-6-(oxolan-2-yl)pyridazine

C8H9ClN2O — CID 117105677

IUPAC3-chloro-6-(oxolan-2-yl)pyridazine
SMILESClc1ccc(C2CCCO2)nn1
InChIInChI=1S/C8H9ClN2O/c9-8-4-3-6(10-11-8)7-2-1-5-12-7/h3-4,7H,1-2,5H2
InChIKeyIJOABQIQORVWKQ-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.98
Rot. Bonds1

About 3-chloro-6-(oxolan-2-yl)pyridazine

3-chloro-6-(oxolan-2-yl)pyridazine (PubChem CID 117105677) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 3-chloro-6-(oxolan-2-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(oxolan-2-yl)pyridazine
PubChem CID117105677
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name3-chloro-6-(oxolan-2-yl)pyridazine
SMILESClc1ccc(C2CCCO2)nn1
InChIInChI=1S/C8H9ClN2O/c9-8-4-3-6(10-11-8)7-2-1-5-12-7/h3-4,7H,1-2,5H2
InChIKeyIJOABQIQORVWKQ-UHFFFAOYSA-N
XLogP1.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 59166406
CID 59166406
CID 174632857
CID 174632857
CID 104514054
CID 104514054
CID 104514160
CID 104514160
CID 104514241
CID 104514241
CID 104514262
CID 104514262
CID 104514266
CID 104514266
CID 104514280
CID 104514280
CID 104514282
CID 104514282
CID 104514286
CID 104514286
CID 113728652
CID 113728652
CID 21702102
CID 21702102

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(oxolan-2-yl)pyridazine?
The IUPAC name of 3-chloro-6-(oxolan-2-yl)pyridazine (CID 117105677) is 3-chloro-6-(oxolan-2-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(oxolan-2-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(oxolan-2-yl)pyridazine is Clc1ccc(C2CCCO2)nn1.
What is the InChIKey of 3-chloro-6-(oxolan-2-yl)pyridazine?
The InChIKey is IJOABQIQORVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-8-4-3-6(10-11-8)7-2-1-5-12-7/h3-4,7H,1-2,5H2.
What are the key properties of 3-chloro-6-(oxolan-2-yl)pyridazine?
3-chloro-6-(oxolan-2-yl)pyridazine has a molecular weight of 184.63 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(oxolan-2-yl)pyridazine is sourced from PubChem (CID 117105677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).