2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine

C7H4BrF4NO — CID 119009127

IUPAC2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1nc(Br)c(OC(F)(F)F)cc1F
InChIInChI=1S/C7H4BrF4NO/c1-3-4(9)2-5(6(8)13-3)14-7(10,11)12/h2H,1H3
InChIKeyBHJHVARPFXAWAF-UHFFFAOYSA-N
MW274.01 g/mol
LogP3.19
Rot. Bonds1

About 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine

2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine (PubChem CID 119009127) has the molecular formula C7H4BrF4NO and a molecular weight of 274.01 g/mol. Its IUPAC name is 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
PubChem CID119009127
Molecular FormulaC7H4BrF4NO
Molecular Weight274.01 g/mol
Exact Mass272.94
IUPAC Name2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1nc(Br)c(OC(F)(F)F)cc1F
InChIInChI=1S/C7H4BrF4NO/c1-3-4(9)2-5(6(8)13-3)14-7(10,11)12/h2H,1H3
InChIKeyBHJHVARPFXAWAF-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 53.19
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-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
CID 130094144
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
CID 130960982
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
CID 118820838
2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119009809
3-bromo-4-fluoro-2-methyl-5-(trifluoromethoxy)pyridine
CID 131214212
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine (CID 119009127) is 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine is Cc1nc(Br)c(OC(F)(F)F)cc1F.
What is the InChIKey of 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine?
The InChIKey is BHJHVARPFXAWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO/c1-3-4(9)2-5(6(8)13-3)14-7(10,11)12/h2H,1H3.
What are the key properties of 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine?
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine has a molecular weight of 274.01 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119009127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).