3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine

C14H10BrF4NO — CID 169249031

IUPAC3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1Br
InChIInChI=1S/C14H10BrF4NO/c1-7-5-9(16)3-4-11(7)21-13-12(15)8(2)10(6-20-13)14(17,18)19/h3-6H,1-2H3
InChIKeyZIAKHZKODGWFJB-UHFFFAOYSA-N
MW364.14 g/mol
LogP5.41
Rot. Bonds2

About 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine

3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine (PubChem CID 169249031) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine
PubChem CID169249031
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1Br
InChIInChI=1S/C14H10BrF4NO/c1-7-5-9(16)3-4-11(7)21-13-12(15)8(2)10(6-20-13)14(17,18)19/h3-6H,1-2H3
InChIKeyZIAKHZKODGWFJB-UHFFFAOYSA-N
XLogP5.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine
CID 169249279
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
methyl 3-bromo-2-(3,4-difluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 169249301
2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175967839
2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide
CID 169249458
4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 79717904
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171071979
5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid
CID 114203062
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169249198
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine (CID 169249031) is 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine is Cc1cc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1Br.
What is the InChIKey of 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is ZIAKHZKODGWFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c1-7-5-9(16)3-4-11(7)21-13-12(15)8(2)10(6-20-13)14(17,18)19/h3-6H,1-2H3.
What are the key properties of 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine?
3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 364.14 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 169249031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).