3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride

C10H16Cl2N2O — CID 21309657

IUPAC3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride
SMILESCc1ncccc1OC[C@H]1CCN1.Cl.Cl
InChIInChI=1S/C10H14N2O.2ClH/c1-8-10(3-2-5-11-8)13-7-9-4-6-12-9;;/h2-3,5,9,12H,4,6-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyQGSIVDYTRPGFEN-KLQYNRQASA-N
MW251.16 g/mol
LogP1.97
Rot. Bonds3

About 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride

3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride (PubChem CID 21309657) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride.

Molecular Properties

Compound Name3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride
PubChem CID21309657
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride
SMILESCc1ncccc1OC[C@H]1CCN1.Cl.Cl
InChIInChI=1S/C10H14N2O.2ClH/c1-8-10(3-2-5-11-8)13-7-9-4-6-12-9;;/h2-3,5,9,12H,4,6-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyQGSIVDYTRPGFEN-KLQYNRQASA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride?
The IUPAC name of 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride (CID 21309657) is 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride.
What is the SMILES notation for 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride?
The canonical SMILES for 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride is Cc1ncccc1OC[C@H]1CCN1.Cl.Cl.
What is the InChIKey of 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride?
The InChIKey is QGSIVDYTRPGFEN-KLQYNRQASA-N. The full InChI is InChI=1S/C10H14N2O.2ClH/c1-8-10(3-2-5-11-8)13-7-9-4-6-12-9;;/h2-3,5,9,12H,4,6-7H2,1H3;2*1H/t9-;;/m1../s1.
What are the key properties of 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride?
3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride is sourced from PubChem (CID 21309657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).