3-chloro-5-(difluoromethoxy)pyridazine

C5H3ClF2N2O — CID 169175920

IUPAC3-chloro-5-(difluoromethoxy)pyridazine
SMILESFC(F)Oc1cnnc(Cl)c1
InChIInChI=1S/C5H3ClF2N2O/c6-4-1-3(2-9-10-4)11-5(7)8/h1-2,5H
InChIKeyXEUJFUONSLOECP-UHFFFAOYSA-N
MW180.54 g/mol
LogP1.73
Rot. Bonds2

About 3-chloro-5-(difluoromethoxy)pyridazine

3-chloro-5-(difluoromethoxy)pyridazine (PubChem CID 169175920) has the molecular formula C5H3ClF2N2O and a molecular weight of 180.54 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(difluoromethoxy)pyridazine
PubChem CID169175920
Molecular FormulaC5H3ClF2N2O
Molecular Weight180.54 g/mol
Exact Mass179.99
IUPAC Name3-chloro-5-(difluoromethoxy)pyridazine
SMILESFC(F)Oc1cnnc(Cl)c1
InChIInChI=1S/C5H3ClF2N2O/c6-4-1-3(2-9-10-4)11-5(7)8/h1-2,5H
InChIKeyXEUJFUONSLOECP-UHFFFAOYSA-N
XLogP1.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethoxy)pyridazine?
The IUPAC name of 3-chloro-5-(difluoromethoxy)pyridazine (CID 169175920) is 3-chloro-5-(difluoromethoxy)pyridazine.
What is the SMILES notation for 3-chloro-5-(difluoromethoxy)pyridazine?
The canonical SMILES for 3-chloro-5-(difluoromethoxy)pyridazine is FC(F)Oc1cnnc(Cl)c1.
What is the InChIKey of 3-chloro-5-(difluoromethoxy)pyridazine?
The InChIKey is XEUJFUONSLOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O/c6-4-1-3(2-9-10-4)11-5(7)8/h1-2,5H.
What are the key properties of 3-chloro-5-(difluoromethoxy)pyridazine?
3-chloro-5-(difluoromethoxy)pyridazine has a molecular weight of 180.54 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethoxy)pyridazine is sourced from PubChem (CID 169175920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).