2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

C8H4BrF6NO — CID 119006706

IUPAC2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)cc(OC(F)(F)F)nc1Br
InChIInChI=1S/C8H4BrF6NO/c1-3-4(7(10,11)12)2-5(16-6(3)9)17-8(13,14)15/h2H,1H3
InChIKeyDHEUPDKZDJQFNZ-UHFFFAOYSA-N
MW324.02 g/mol
LogP4.07
Rot. Bonds1

About 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 119006706) has the molecular formula C8H4BrF6NO and a molecular weight of 324.02 g/mol. Its IUPAC name is 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID119006706
Molecular FormulaC8H4BrF6NO
Molecular Weight324.02 g/mol
Exact Mass322.94
IUPAC Name2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)cc(OC(F)(F)F)nc1Br
InChIInChI=1S/C8H4BrF6NO/c1-3-4(7(10,11)12)2-5(16-6(3)9)17-8(13,14)15/h2H,1H3
InChIKeyDHEUPDKZDJQFNZ-UHFFFAOYSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.02
LogP ≤ 54.07
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

2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
5-bromo-2-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171009395
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134681197
2,4-dimethyl-6-(trifluoromethoxy)pyridine
CID 130088944
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134665228
2-(fluoromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridin-3-ol
CID 134681363
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134668297
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561
4-methyl-6-(trifluoromethoxy)pyrimidine
CID 167503979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 119006706) is 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is Cc1c(C(F)(F)F)cc(OC(F)(F)F)nc1Br.
What is the InChIKey of 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is DHEUPDKZDJQFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF6NO/c1-3-4(7(10,11)12)2-5(16-6(3)9)17-8(13,14)15/h2H,1H3.
What are the key properties of 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 324.02 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 119006706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).