5-bromo-2-(difluoromethoxy)-3-fluoropyridine

C6H3BrF3NO — CID 46311531

IUPAC5-bromo-2-(difluoromethoxy)-3-fluoropyridine
SMILESFc1cc(Br)cnc1OC(F)F
InChIInChI=1S/C6H3BrF3NO/c7-3-1-4(8)5(11-2-3)12-6(9)10/h1-2,6H
InChIKeyMEOKCSLNZFBSEM-UHFFFAOYSA-N
MW241.99 g/mol
LogP2.58
Rot. Bonds2

About 5-bromo-2-(difluoromethoxy)-3-fluoropyridine

5-bromo-2-(difluoromethoxy)-3-fluoropyridine (PubChem CID 46311531) has the molecular formula C6H3BrF3NO and a molecular weight of 241.99 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-3-fluoropyridine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-3-fluoropyridine
PubChem CID46311531
Molecular FormulaC6H3BrF3NO
Molecular Weight241.99 g/mol
Exact Mass240.94
IUPAC Name5-bromo-2-(difluoromethoxy)-3-fluoropyridine
SMILESFc1cc(Br)cnc1OC(F)F
InChIInChI=1S/C6H3BrF3NO/c7-3-1-4(8)5(11-2-3)12-6(9)10/h1-2,6H
InChIKeyMEOKCSLNZFBSEM-UHFFFAOYSA-N
XLogP2.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.99
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-3-fluoropyridine?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-3-fluoropyridine (CID 46311531) is 5-bromo-2-(difluoromethoxy)-3-fluoropyridine.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-3-fluoropyridine?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-3-fluoropyridine is Fc1cc(Br)cnc1OC(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-3-fluoropyridine?
The InChIKey is MEOKCSLNZFBSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO/c7-3-1-4(8)5(11-2-3)12-6(9)10/h1-2,6H.
What are the key properties of 5-bromo-2-(difluoromethoxy)-3-fluoropyridine?
5-bromo-2-(difluoromethoxy)-3-fluoropyridine has a molecular weight of 241.99 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-3-fluoropyridine is sourced from PubChem (CID 46311531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).