2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine

C13H9BrF3NO — CID 66876057

IUPAC2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Br)cc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9BrF3NO/c1-8-2-4-10(14)6-11(8)19-12-5-3-9(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyNNFLKIMKCIOEQM-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.96
Rot. Bonds2

About 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine

2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 66876057) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID66876057
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(Br)cc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9BrF3NO/c1-8-2-4-10(14)6-11(8)19-12-5-3-9(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyNNFLKIMKCIOEQM-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

5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 65429611
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 2435081
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
CID 895271
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
CID 107284389
3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 103589164

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine (CID 66876057) is 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine is Cc1ccc(Br)cc1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is NNFLKIMKCIOEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c1-8-2-4-10(14)6-11(8)19-12-5-3-9(7-18-12)13(15,16)17/h2-7H,1H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine?
2-(5-bromo-2-methylphenoxy)-5-(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-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 66876057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).