4-bromo-2-chloro-6-(difluoromethoxy)pyridine

C6H3BrClF2NO — CID 118811975

IUPAC4-bromo-2-chloro-6-(difluoromethoxy)pyridine
SMILESFC(F)Oc1cc(Br)cc(Cl)n1
InChIInChI=1S/C6H3BrClF2NO/c7-3-1-4(8)11-5(2-3)12-6(9)10/h1-2,6H
InChIKeyINJRQGFATYRCHO-UHFFFAOYSA-N
MW258.45 g/mol
LogP3.10
Rot. Bonds2

About 4-bromo-2-chloro-6-(difluoromethoxy)pyridine

4-bromo-2-chloro-6-(difluoromethoxy)pyridine (PubChem CID 118811975) has the molecular formula C6H3BrClF2NO and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(difluoromethoxy)pyridine
PubChem CID118811975
Molecular FormulaC6H3BrClF2NO
Molecular Weight258.45 g/mol
Exact Mass256.91
IUPAC Name4-bromo-2-chloro-6-(difluoromethoxy)pyridine
SMILESFC(F)Oc1cc(Br)cc(Cl)n1
InChIInChI=1S/C6H3BrClF2NO/c7-3-1-4(8)11-5(2-3)12-6(9)10/h1-2,6H
InChIKeyINJRQGFATYRCHO-UHFFFAOYSA-N
XLogP3.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(difluoromethoxy)pyridine?
The IUPAC name of 4-bromo-2-chloro-6-(difluoromethoxy)pyridine (CID 118811975) is 4-bromo-2-chloro-6-(difluoromethoxy)pyridine.
What is the SMILES notation for 4-bromo-2-chloro-6-(difluoromethoxy)pyridine?
The canonical SMILES for 4-bromo-2-chloro-6-(difluoromethoxy)pyridine is FC(F)Oc1cc(Br)cc(Cl)n1.
What is the InChIKey of 4-bromo-2-chloro-6-(difluoromethoxy)pyridine?
The InChIKey is INJRQGFATYRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF2NO/c7-3-1-4(8)11-5(2-3)12-6(9)10/h1-2,6H.
What are the key properties of 4-bromo-2-chloro-6-(difluoromethoxy)pyridine?
4-bromo-2-chloro-6-(difluoromethoxy)pyridine has a molecular weight of 258.45 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-(difluoromethoxy)pyridine is sourced from PubChem (CID 118811975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).