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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Related Compounds

4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
3-bromo-4-(difluoromethoxy)-5-(trifluoromethyl)aniline
CID 131408646
3-bromo-4-(difluoromethoxy)-5-(trifluoromethoxy)aniline
CID 134625429
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
CID 119004848
CID 59355302
CID 59355302
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827
1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 118807710
4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
CID 83399919
3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine
CID 130068827
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136706587
4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid
CID 84820533

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).