3-bromo-5-(3-chlorocyclobutyl)oxypyridine

C9H9BrClNO — CID 66345800

IUPAC3-bromo-5-(3-chlorocyclobutyl)oxypyridine
SMILESClC1CC(Oc2cncc(Br)c2)C1
InChIInChI=1S/C9H9BrClNO/c10-6-1-9(5-12-4-6)13-8-2-7(11)3-8/h1,4-5,7-8H,2-3H2
InChIKeyOYRZRIYFBQTKNS-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.99
Rot. Bonds2

About 3-bromo-5-(3-chlorocyclobutyl)oxypyridine

3-bromo-5-(3-chlorocyclobutyl)oxypyridine (PubChem CID 66345800) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 3-bromo-5-(3-chlorocyclobutyl)oxypyridine.

Molecular Properties

Compound Name3-bromo-5-(3-chlorocyclobutyl)oxypyridine
PubChem CID66345800
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name3-bromo-5-(3-chlorocyclobutyl)oxypyridine
SMILESClC1CC(Oc2cncc(Br)c2)C1
InChIInChI=1S/C9H9BrClNO/c10-6-1-9(5-12-4-6)13-8-2-7(11)3-8/h1,4-5,7-8H,2-3H2
InChIKeyOYRZRIYFBQTKNS-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chlorocyclobutyl)oxypyridine?
The IUPAC name of 3-bromo-5-(3-chlorocyclobutyl)oxypyridine (CID 66345800) is 3-bromo-5-(3-chlorocyclobutyl)oxypyridine.
What is the SMILES notation for 3-bromo-5-(3-chlorocyclobutyl)oxypyridine?
The canonical SMILES for 3-bromo-5-(3-chlorocyclobutyl)oxypyridine is ClC1CC(Oc2cncc(Br)c2)C1.
What is the InChIKey of 3-bromo-5-(3-chlorocyclobutyl)oxypyridine?
The InChIKey is OYRZRIYFBQTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-6-1-9(5-12-4-6)13-8-2-7(11)3-8/h1,4-5,7-8H,2-3H2.
What are the key properties of 3-bromo-5-(3-chlorocyclobutyl)oxypyridine?
3-bromo-5-(3-chlorocyclobutyl)oxypyridine has a molecular weight of 262.53 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-chlorocyclobutyl)oxypyridine is sourced from PubChem (CID 66345800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).