5-(azetidin-2-ylmethoxy)-2-bromopyridine

C9H11BrN2O — CID 22451668

IUPAC5-(azetidin-2-ylmethoxy)-2-bromopyridine
SMILESBrc1ccc(OCC2CCN2)cn1
InChIInChI=1S/C9H11BrN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2
InChIKeyMYOVLNAZGABXFO-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.58
Rot. Bonds3

About 5-(azetidin-2-ylmethoxy)-2-bromopyridine

5-(azetidin-2-ylmethoxy)-2-bromopyridine (PubChem CID 22451668) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 5-(azetidin-2-ylmethoxy)-2-bromopyridine.

Molecular Properties

Compound Name5-(azetidin-2-ylmethoxy)-2-bromopyridine
PubChem CID22451668
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name5-(azetidin-2-ylmethoxy)-2-bromopyridine
SMILESBrc1ccc(OCC2CCN2)cn1
InChIInChI=1S/C9H11BrN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2
InChIKeyMYOVLNAZGABXFO-UHFFFAOYSA-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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Related Compounds

5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
5-[[(2S)-azetidin-2-yl]methoxy]-2-(fluoromethyl)pyridine
CID 54447351
2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 118109642
5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine
CID 164526083
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
5-[[(2R)-azetidin-2-yl]methoxy]-3-bromo-2-methoxypyridine
CID 142643453
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride
CID 70197125
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
CID 45116350
5-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridin-3-amine
CID 54387024

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-2-ylmethoxy)-2-bromopyridine?
The IUPAC name of 5-(azetidin-2-ylmethoxy)-2-bromopyridine (CID 22451668) is 5-(azetidin-2-ylmethoxy)-2-bromopyridine.
What is the SMILES notation for 5-(azetidin-2-ylmethoxy)-2-bromopyridine?
The canonical SMILES for 5-(azetidin-2-ylmethoxy)-2-bromopyridine is Brc1ccc(OCC2CCN2)cn1.
What is the InChIKey of 5-(azetidin-2-ylmethoxy)-2-bromopyridine?
The InChIKey is MYOVLNAZGABXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2.
What are the key properties of 5-(azetidin-2-ylmethoxy)-2-bromopyridine?
5-(azetidin-2-ylmethoxy)-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 5-(azetidin-2-ylmethoxy)-2-bromopyridine is sourced from PubChem (CID 22451668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).