2-bromo-6-[3-(chloromethyl)phenoxy]pyridine

C12H9BrClNO — CID 171460464

IUPAC2-bromo-6-[3-(chloromethyl)phenoxy]pyridine
SMILESClCc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C12H9BrClNO/c13-11-5-2-6-12(15-11)16-10-4-1-3-9(7-10)8-14/h1-7H,8H2
InChIKeyXMFGFXWVBNOOGO-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.38
Rot. Bonds3

About 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine

2-bromo-6-[3-(chloromethyl)phenoxy]pyridine (PubChem CID 171460464) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[3-(chloromethyl)phenoxy]pyridine
PubChem CID171460464
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name2-bromo-6-[3-(chloromethyl)phenoxy]pyridine
SMILESClCc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C12H9BrClNO/c13-11-5-2-6-12(15-11)16-10-4-1-3-9(7-10)8-14/h1-7H,8H2
InChIKeyXMFGFXWVBNOOGO-UHFFFAOYSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine?
The IUPAC name of 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine (CID 171460464) is 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine?
The canonical SMILES for 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine is ClCc1cccc(Oc2cccc(Br)n2)c1.
What is the InChIKey of 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine?
The InChIKey is XMFGFXWVBNOOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c13-11-5-2-6-12(15-11)16-10-4-1-3-9(7-10)8-14/h1-7H,8H2.
What are the key properties of 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine?
2-bromo-6-[3-(chloromethyl)phenoxy]pyridine has a molecular weight of 298.57 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(chloromethyl)phenoxy]pyridine is sourced from PubChem (CID 171460464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).