2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine

C12H6BrClF3NO2 — CID 102714502

IUPAC2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
SMILESFC(F)(F)Oc1ccc(Oc2cccc(Cl)n2)cc1Br
InChIInChI=1S/C12H6BrClF3NO2/c13-8-6-7(4-5-9(8)20-12(15,16)17)19-11-3-1-2-10(14)18-11/h1-6H
InChIKeyXNEQOQYQGSXEQC-UHFFFAOYSA-N
MW368.54 g/mol
LogP5.19
Rot. Bonds3

About 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine

2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine (PubChem CID 102714502) has the molecular formula C12H6BrClF3NO2 and a molecular weight of 368.54 g/mol. Its IUPAC name is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine.

Molecular Properties

Compound Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
PubChem CID102714502
Molecular FormulaC12H6BrClF3NO2
Molecular Weight368.54 g/mol
Exact Mass366.92
IUPAC Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
SMILESFC(F)(F)Oc1ccc(Oc2cccc(Cl)n2)cc1Br
InChIInChI=1S/C12H6BrClF3NO2/c13-8-6-7(4-5-9(8)20-12(15,16)17)19-11-3-1-2-10(14)18-11/h1-6H
InChIKeyXNEQOQYQGSXEQC-UHFFFAOYSA-N
XLogP5.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947
2-(2-bromo-4-fluorophenoxy)-6-chloropyridine
CID 60725991
N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
CID 107336659
[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
CID 102714960
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
CID 102714410
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
CID 102714035
[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanol
CID 63586509
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine
CID 60727021
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
CID 102714068
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-propan-2-yl-1,2,4-thiadiazole
CID 102714057

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine?
The IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine (CID 102714502) is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine.
What is the SMILES notation for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine?
The canonical SMILES for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine is FC(F)(F)Oc1ccc(Oc2cccc(Cl)n2)cc1Br.
What is the InChIKey of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine?
The InChIKey is XNEQOQYQGSXEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3NO2/c13-8-6-7(4-5-9(8)20-12(15,16)17)19-11-3-1-2-10(14)18-11/h1-6H.
What are the key properties of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine?
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine has a molecular weight of 368.54 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine is sourced from PubChem (CID 102714502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).