5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine

C8H8BrClN2O — CID 88564773

IUPAC5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine
SMILESClN1CC(Oc2ccc(Br)cn2)C1
InChIInChI=1S/C8H8BrClN2O/c9-6-1-2-8(11-3-6)13-7-4-12(10)5-7/h1-3,7H,4-5H2
InChIKeyCXGCCVHVPWUXPQ-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.06
Rot. Bonds2

About 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine

5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine (PubChem CID 88564773) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine.

Molecular Properties

Compound Name5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine
PubChem CID88564773
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine
SMILESClN1CC(Oc2ccc(Br)cn2)C1
InChIInChI=1S/C8H8BrClN2O/c9-6-1-2-8(11-3-6)13-7-4-12(10)5-7/h1-3,7H,4-5H2
InChIKeyCXGCCVHVPWUXPQ-UHFFFAOYSA-N
XLogP2.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3,3-difluorocyclobutyl)oxypyridine
CID 151835706
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
5-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 71303659
5-bromo-2-(3-methylcyclopentyl)oxypyridine
CID 67995994
1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
CID 58073107
5-bromo-2-[(3R)-piperidin-3-yl]oxypyridine
CID 71636380
5-bromo-2-piperidin-3-yloxypyridine;hydrochloride
CID 71636384
methyl 2-[(3S)-3-[(5-bromo-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]benzoate
CID 129417220
1-[(3S)-3-[(5-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 129417053
CID 24988248
CID 24988248
5-bromo-2-methoxypyridine
CID 2734895
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine?
The IUPAC name of 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine (CID 88564773) is 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine.
What is the SMILES notation for 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine?
The canonical SMILES for 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine is ClN1CC(Oc2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine?
The InChIKey is CXGCCVHVPWUXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-6-1-2-8(11-3-6)13-7-4-12(10)5-7/h1-3,7H,4-5H2.
What are the key properties of 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine?
5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine has a molecular weight of 263.52 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine is sourced from PubChem (CID 88564773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).