3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine

C9H11BrN2O — CID 10586289

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine
SMILESBrc1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C9H11BrN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
InChIKeyAPRWFNJAFUPZCN-ZETCQYMHSA-N
MW243.10 g/mol
LogP1.58
Rot. Bonds3

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

3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine (PubChem CID 10586289) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine
PubChem CID10586289
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine
SMILESBrc1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C9H11BrN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
InChIKeyAPRWFNJAFUPZCN-ZETCQYMHSA-N
XLogP1.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine (CID 10586289) is 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine is Brc1ncccc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine?
The InChIKey is APRWFNJAFUPZCN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine has a molecular weight of 243.10 g/mol, XLogP of 1.58, 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]-2-bromopyridine is sourced from PubChem (CID 10586289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).