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

C7H2Br2F5NO — CID 118704019

IUPAC2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)Oc1c(Br)cc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H2Br2F5NO/c8-2-1-3(7(12,13)14)15-5(9)4(2)16-6(10)11/h1,6H
InChIKeyXVHHIJBOWKOSPC-UHFFFAOYSA-N
MW370.90 g/mol
LogP4.23
Rot. Bonds2

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

2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 118704019) has the molecular formula C7H2Br2F5NO and a molecular weight of 370.90 g/mol. Its IUPAC name is 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID118704019
Molecular FormulaC7H2Br2F5NO
Molecular Weight370.90 g/mol
Exact Mass368.84
IUPAC Name2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)Oc1c(Br)cc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H2Br2F5NO/c8-2-1-3(7(12,13)14)15-5(9)4(2)16-6(10)11/h1,6H
InChIKeyXVHHIJBOWKOSPC-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 54.23
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 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine (CID 118704019) is 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine is FC(F)Oc1c(Br)cc(C(F)(F)F)nc1Br.
What is the InChIKey of 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is XVHHIJBOWKOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F5NO/c8-2-1-3(7(12,13)14)15-5(9)4(2)16-6(10)11/h1,6H.
What are the key properties of 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine?
2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 370.90 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118704019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).