5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride

C11H17ClN2O — CID 70197125

IUPAC5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride
SMILESCc1cc(OC[C@@H]2CCN2)cnc1C.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-5-11(6-13-9(8)2)14-7-10-3-4-12-10;/h5-6,10,12H,3-4,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyDHXZTOIQRNHDGX-PPHPATTJSA-N
MW228.72 g/mol
LogP1.86
Rot. Bonds3

About 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride

5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride (PubChem CID 70197125) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride.

Molecular Properties

Compound Name5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride
PubChem CID70197125
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride
SMILESCc1cc(OC[C@@H]2CCN2)cnc1C.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-5-11(6-13-9(8)2)14-7-10-3-4-12-10;/h5-6,10,12H,3-4,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyDHXZTOIQRNHDGX-PPHPATTJSA-N
XLogP1.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride?
The IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride (CID 70197125) is 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride.
What is the SMILES notation for 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride?
The canonical SMILES for 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride is Cc1cc(OC[C@@H]2CCN2)cnc1C.Cl.
What is the InChIKey of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride?
The InChIKey is DHXZTOIQRNHDGX-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8-5-11(6-13-9(8)2)14-7-10-3-4-12-10;/h5-6,10,12H,3-4,7H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride?
5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride is sourced from PubChem (CID 70197125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).