3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine

C9H11ClFN3 — CID 178171423

IUPAC3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine
SMILESCC1(F)CN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H11ClFN3/c1-9(11)5-14(6-9)4-7-2-3-8(10)13-12-7/h2-3H,4-6H2,1H3
InChIKeyAHKPYYVPTQGBFO-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.67
Rot. Bonds2

About 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine

3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine (PubChem CID 178171423) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine
PubChem CID178171423
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine
SMILESCC1(F)CN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H11ClFN3/c1-9(11)5-14(6-9)4-7-2-3-8(10)13-12-7/h2-3H,4-6H2,1H3
InChIKeyAHKPYYVPTQGBFO-UHFFFAOYSA-N
XLogP1.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine (CID 178171423) is 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine is CC1(F)CN(Cc2ccc(Cl)nn2)C1.
What is the InChIKey of 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine?
The InChIKey is AHKPYYVPTQGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c1-9(11)5-14(6-9)4-7-2-3-8(10)13-12-7/h2-3H,4-6H2,1H3.
What are the key properties of 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine?
3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine has a molecular weight of 215.66 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine is sourced from PubChem (CID 178171423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).