2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine

C12H6BrF4NO — CID 83235033

IUPAC2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
SMILESFc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1Br
InChIInChI=1S/C12H6BrF4NO/c13-9-6-8(1-2-10(9)14)19-11-5-7(3-4-18-11)12(15,16)17/h1-6H
InChIKeyQDFYRQJUEFZIIU-UHFFFAOYSA-N
MW336.08 g/mol
LogP4.79
Rot. Bonds2

About 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine

2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine (PubChem CID 83235033) has the molecular formula C12H6BrF4NO and a molecular weight of 336.08 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
PubChem CID83235033
Molecular FormulaC12H6BrF4NO
Molecular Weight336.08 g/mol
Exact Mass334.96
IUPAC Name2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
SMILESFc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1Br
InChIInChI=1S/C12H6BrF4NO/c13-9-6-8(1-2-10(9)14)19-11-5-7(3-4-18-11)12(15,16)17/h1-6H
InChIKeyQDFYRQJUEFZIIU-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.08
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137
2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 141360460
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
N-[[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 83234738
5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]ethyl]quinazolin-4-amine
CID 59223056
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 66330854

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine (CID 83235033) is 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine is Fc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is QDFYRQJUEFZIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF4NO/c13-9-6-8(1-2-10(9)14)19-11-5-7(3-4-18-11)12(15,16)17/h1-6H.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine?
2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 336.08 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 83235033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).