3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine

C9H11ClN2O — CID 10821840

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine
SMILESClc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11ClN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
InChIKeyMFEGWOBZTGPLEC-QMMMGPOBSA-N
MW198.65 g/mol
LogP1.48
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine (PubChem CID 10821840) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine
PubChem CID10821840
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine
SMILESClc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11ClN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
InChIKeyMFEGWOBZTGPLEC-QMMMGPOBSA-N
XLogP1.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine (CID 10821840) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine is Clc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine?
The InChIKey is MFEGWOBZTGPLEC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine has a molecular weight of 198.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-chloropyridine is sourced from PubChem (CID 10821840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).