3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine

C8H10ClN3O — CID 21309639

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine
SMILESClc1ccc(OC[C@@H]2CCN2)nn1
InChIInChI=1S/C8H10ClN3O/c9-7-1-2-8(12-11-7)13-5-6-3-4-10-6/h1-2,6,10H,3-5H2/t6-/m0/s1
InChIKeyQLBLHFJASFCJPK-LURJTMIESA-N
MW199.64 g/mol
LogP0.87
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine

3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine (PubChem CID 21309639) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine
PubChem CID21309639
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine
SMILESClc1ccc(OC[C@@H]2CCN2)nn1
InChIInChI=1S/C8H10ClN3O/c9-7-1-2-8(12-11-7)13-5-6-3-4-10-6/h1-2,6,10H,3-5H2/t6-/m0/s1
InChIKeyQLBLHFJASFCJPK-LURJTMIESA-N
XLogP0.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine (CID 21309639) is 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine is Clc1ccc(OC[C@@H]2CCN2)nn1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine?
The InChIKey is QLBLHFJASFCJPK-LURJTMIESA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-7-1-2-8(12-11-7)13-5-6-3-4-10-6/h1-2,6,10H,3-5H2/t6-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine?
3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine has a molecular weight of 199.64 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-6-chloropyridazine is sourced from PubChem (CID 21309639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).