2-[bromo(difluoro)methoxy]pyridine

C6H4BrF2NO — CID 66668027

IUPAC2-[bromo(difluoro)methoxy]pyridine
SMILESFC(F)(Br)Oc1ccccn1
InChIInChI=1S/C6H4BrF2NO/c7-6(8,9)11-5-3-1-2-4-10-5/h1-4H
InChIKeyAXSTYOFVSTVLDM-UHFFFAOYSA-N
MW224.00 g/mol
LogP2.41
Rot. Bonds2

About 2-[bromo(difluoro)methoxy]pyridine

2-[bromo(difluoro)methoxy]pyridine (PubChem CID 66668027) has the molecular formula C6H4BrF2NO and a molecular weight of 224.00 g/mol. Its IUPAC name is 2-[bromo(difluoro)methoxy]pyridine.

Molecular Properties

Compound Name2-[bromo(difluoro)methoxy]pyridine
PubChem CID66668027
Molecular FormulaC6H4BrF2NO
Molecular Weight224.00 g/mol
Exact Mass222.94
IUPAC Name2-[bromo(difluoro)methoxy]pyridine
SMILESFC(F)(Br)Oc1ccccn1
InChIInChI=1S/C6H4BrF2NO/c7-6(8,9)11-5-3-1-2-4-10-5/h1-4H
InChIKeyAXSTYOFVSTVLDM-UHFFFAOYSA-N
XLogP2.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 52.41
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 2-[bromo(difluoro)methoxy]pyridine?
The IUPAC name of 2-[bromo(difluoro)methoxy]pyridine (CID 66668027) is 2-[bromo(difluoro)methoxy]pyridine.
What is the SMILES notation for 2-[bromo(difluoro)methoxy]pyridine?
The canonical SMILES for 2-[bromo(difluoro)methoxy]pyridine is FC(F)(Br)Oc1ccccn1.
What is the InChIKey of 2-[bromo(difluoro)methoxy]pyridine?
The InChIKey is AXSTYOFVSTVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO/c7-6(8,9)11-5-3-1-2-4-10-5/h1-4H.
What are the key properties of 2-[bromo(difluoro)methoxy]pyridine?
2-[bromo(difluoro)methoxy]pyridine has a molecular weight of 224.00 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(difluoro)methoxy]pyridine is sourced from PubChem (CID 66668027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).