4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine

C6H2Br2ClF2NO — CID 86675402

IUPAC4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine
SMILESFC(F)Oc1c(Br)cc(Br)nc1Cl
InChIInChI=1S/C6H2Br2ClF2NO/c7-2-1-3(8)12-5(9)4(2)13-6(10)11/h1,6H
InChIKeyFOHNXIXYXYVKIF-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.86
Rot. Bonds2

About 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine

4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine (PubChem CID 86675402) has the molecular formula C6H2Br2ClF2NO and a molecular weight of 337.35 g/mol. Its IUPAC name is 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine
PubChem CID86675402
Molecular FormulaC6H2Br2ClF2NO
Molecular Weight337.35 g/mol
Exact Mass334.82
IUPAC Name4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine
SMILESFC(F)Oc1c(Br)cc(Br)nc1Cl
InChIInChI=1S/C6H2Br2ClF2NO/c7-2-1-3(8)12-5(9)4(2)13-6(10)11/h1,6H
InChIKeyFOHNXIXYXYVKIF-UHFFFAOYSA-N
XLogP3.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.86
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 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine?
The IUPAC name of 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine (CID 86675402) is 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine.
What is the SMILES notation for 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine?
The canonical SMILES for 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine is FC(F)Oc1c(Br)cc(Br)nc1Cl.
What is the InChIKey of 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine?
The InChIKey is FOHNXIXYXYVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2ClF2NO/c7-2-1-3(8)12-5(9)4(2)13-6(10)11/h1,6H.
What are the key properties of 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine?
4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine has a molecular weight of 337.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-chloro-3-(difluoromethoxy)pyridine is sourced from PubChem (CID 86675402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).