2-bromo-6-phenoxypyridine

C11H8BrNO — CID 824589

IUPAC2-bromo-6-phenoxypyridine
SMILESBrc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C11H8BrNO/c12-10-7-4-8-11(13-10)14-9-5-2-1-3-6-9/h1-8H
InChIKeyJCCHXHXBKRYZOA-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.64
Rot. Bonds2

About 2-bromo-6-phenoxypyridine

2-bromo-6-phenoxypyridine (PubChem CID 824589) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 2-bromo-6-phenoxypyridine.

Molecular Properties

Compound Name2-bromo-6-phenoxypyridine
PubChem CID824589
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name2-bromo-6-phenoxypyridine
SMILESBrc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C11H8BrNO/c12-10-7-4-8-11(13-10)14-9-5-2-1-3-6-9/h1-8H
InChIKeyJCCHXHXBKRYZOA-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 256810
CID 256810
CID 46233349
CID 46233349
CID 78510
CID 78510
CID 824772
CID 824772
CID 642860
CID 642860
CID 10798146
CID 10798146
CID 29919811
CID 29919811
CID 817475
CID 817475
CID 13169698
CID 13169698
CID 23201935
CID 23201935
CID 1201018
CID 1201018
CID 12191401
CID 12191401

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenoxypyridine?
The IUPAC name of 2-bromo-6-phenoxypyridine (CID 824589) is 2-bromo-6-phenoxypyridine.
What is the SMILES notation for 2-bromo-6-phenoxypyridine?
The canonical SMILES for 2-bromo-6-phenoxypyridine is Brc1cccc(Oc2ccccc2)n1.
What is the InChIKey of 2-bromo-6-phenoxypyridine?
The InChIKey is JCCHXHXBKRYZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-10-7-4-8-11(13-10)14-9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-bromo-6-phenoxypyridine?
2-bromo-6-phenoxypyridine has a molecular weight of 250.10 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenoxypyridine is sourced from PubChem (CID 824589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).