3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride

C9H14ClN3O — CID 141001477

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride
SMILESCl.Nc1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C9H13N3O.ClH/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7;/h1-2,4,7,11H,3,5-6H2,(H2,10,12);1H/t7-;/m0./s1
InChIKeyJRWBIZCMUOBPPK-FJXQXJEOSA-N
MW215.68 g/mol
LogP0.83
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride

3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride (PubChem CID 141001477) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride
PubChem CID141001477
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride
SMILESCl.Nc1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C9H13N3O.ClH/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7;/h1-2,4,7,11H,3,5-6H2,(H2,10,12);1H/t7-;/m0./s1
InChIKeyJRWBIZCMUOBPPK-FJXQXJEOSA-N
XLogP0.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride
CID 21309657
3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
CID 46182395
3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10241442
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
3-[(5-methyloxolan-2-yl)methoxy]pyridin-2-amine
CID 103132570
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153
3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]pyridin-2-amine
CID 56899477
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride (CID 141001477) is 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride is Cl.Nc1ncccc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride?
The InChIKey is JRWBIZCMUOBPPK-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7;/h1-2,4,7,11H,3,5-6H2,(H2,10,12);1H/t7-;/m0./s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride?
3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 141001477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).