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

C13H9BrF3NO — CID 83133978

IUPAC2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(Oc2cc(C(F)(F)F)ccn2)ccc1Br
InChIInChI=1S/C13H9BrF3NO/c1-8-6-10(2-3-11(8)14)19-12-7-9(4-5-18-12)13(15,16)17/h2-7H,1H3
InChIKeyYKKBYRWBDKKJGO-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.96
Rot. Bonds2

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

2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine (PubChem CID 83133978) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
PubChem CID83133978
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(Oc2cc(C(F)(F)F)ccn2)ccc1Br
InChIInChI=1S/C13H9BrF3NO/c1-8-6-10(2-3-11(8)14)19-12-7-9(4-5-18-12)13(15,16)17/h2-7H,1H3
InChIKeyYKKBYRWBDKKJGO-UHFFFAOYSA-N
XLogP4.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 83235033
6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720089
2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
CID 83132770
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 141360460
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 66328112
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 66330854

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine (CID 83133978) is 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine is Cc1cc(Oc2cc(C(F)(F)F)ccn2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is YKKBYRWBDKKJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c1-8-6-10(2-3-11(8)14)19-12-7-9(4-5-18-12)13(15,16)17/h2-7H,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine?
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 332.12 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 83133978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).