2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine

C6HBrF5NO — CID 130094144

IUPAC2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
SMILESFc1cc(OC(F)(F)F)c(F)nc1Br
InChIInChI=1S/C6HBrF5NO/c7-4-2(8)1-3(5(9)13-4)14-6(10,11)12/h1H
InChIKeyJQSWLHSDPKOZJT-UHFFFAOYSA-N
MW277.97 g/mol
LogP3.02
Rot. Bonds1

About 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine

2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine (PubChem CID 130094144) has the molecular formula C6HBrF5NO and a molecular weight of 277.97 g/mol. Its IUPAC name is 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
PubChem CID130094144
Molecular FormulaC6HBrF5NO
Molecular Weight277.97 g/mol
Exact Mass276.92
IUPAC Name2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
SMILESFc1cc(OC(F)(F)F)c(F)nc1Br
InChIInChI=1S/C6HBrF5NO/c7-4-2(8)1-3(5(9)13-4)14-6(10,11)12/h1H
InChIKeyJQSWLHSDPKOZJT-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.97
LogP ≤ 53.02
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

2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
CID 118820838
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
CID 119009127
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
1-[5-bromo-2-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 131629056
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171033015
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
CID 118841669

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine (CID 130094144) is 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine is Fc1cc(OC(F)(F)F)c(F)nc1Br.
What is the InChIKey of 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine?
The InChIKey is JQSWLHSDPKOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF5NO/c7-4-2(8)1-3(5(9)13-4)14-6(10,11)12/h1H.
What are the key properties of 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine?
2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine has a molecular weight of 277.97 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130094144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).