5-bromo-3-chloro-2-(difluoromethoxy)pyridine

C6H3BrClF2NO — CID 46311528

IUPAC5-bromo-3-chloro-2-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ncc(Br)cc1Cl
InChIInChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(11-2-3)12-6(9)10/h1-2,6H
InChIKeyIABKBOUVVDEFJB-UHFFFAOYSA-N
MW258.45 g/mol
LogP3.10
Rot. Bonds2

About 5-bromo-3-chloro-2-(difluoromethoxy)pyridine

5-bromo-3-chloro-2-(difluoromethoxy)pyridine (PubChem CID 46311528) has the molecular formula C6H3BrClF2NO and a molecular weight of 258.45 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(difluoromethoxy)pyridine
PubChem CID46311528
Molecular FormulaC6H3BrClF2NO
Molecular Weight258.45 g/mol
Exact Mass256.91
IUPAC Name5-bromo-3-chloro-2-(difluoromethoxy)pyridine
SMILESFC(F)Oc1ncc(Br)cc1Cl
InChIInChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(11-2-3)12-6(9)10/h1-2,6H
InChIKeyIABKBOUVVDEFJB-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(difluoromethoxy)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(difluoromethoxy)pyridine (CID 46311528) is 5-bromo-3-chloro-2-(difluoromethoxy)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(difluoromethoxy)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(difluoromethoxy)pyridine is FC(F)Oc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-(difluoromethoxy)pyridine?
The InChIKey is IABKBOUVVDEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(11-2-3)12-6(9)10/h1-2,6H.
What are the key properties of 5-bromo-3-chloro-2-(difluoromethoxy)pyridine?
5-bromo-3-chloro-2-(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 5-bromo-3-chloro-2-(difluoromethoxy)pyridine is sourced from PubChem (CID 46311528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).