3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine

C7H6ClF2N3 — CID 127263084

IUPAC3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine
SMILESFC1(F)CN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C7H6ClF2N3/c8-6-1-5(2-11-12-6)13-3-7(9,10)4-13/h1-2H,3-4H2
InChIKeyBTRJNCRREQOZRA-UHFFFAOYSA-N
MW205.59 g/mol
LogP1.59
Rot. Bonds1

About 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine

3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine (PubChem CID 127263084) has the molecular formula C7H6ClF2N3 and a molecular weight of 205.59 g/mol. Its IUPAC name is 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine
PubChem CID127263084
Molecular FormulaC7H6ClF2N3
Molecular Weight205.59 g/mol
Exact Mass205.02
IUPAC Name3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine
SMILESFC1(F)CN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C7H6ClF2N3/c8-6-1-5(2-11-12-6)13-3-7(9,10)4-13/h1-2H,3-4H2
InChIKeyBTRJNCRREQOZRA-UHFFFAOYSA-N
XLogP1.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine (CID 127263084) is 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine is FC1(F)CN(c2cnnc(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine?
The InChIKey is BTRJNCRREQOZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3/c8-6-1-5(2-11-12-6)13-3-7(9,10)4-13/h1-2H,3-4H2.
What are the key properties of 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine?
3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine has a molecular weight of 205.59 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,3-difluoroazetidin-1-yl)pyridazine is sourced from PubChem (CID 127263084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).