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

C14H10BrF4NO — CID 169249279

IUPAC4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(F)ccc1Oc1cnc(C(F)(F)F)c(C)c1Br
InChIInChI=1S/C14H10BrF4NO/c1-7-5-9(16)3-4-10(7)21-11-6-20-13(14(17,18)19)8(2)12(11)15/h3-6H,1-2H3
InChIKeyYIHPNLYHXGWOCA-UHFFFAOYSA-N
MW364.14 g/mol
LogP5.41
Rot. Bonds2

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

4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine (PubChem CID 169249279) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine
PubChem CID169249279
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(F)ccc1Oc1cnc(C(F)(F)F)c(C)c1Br
InChIInChI=1S/C14H10BrF4NO/c1-7-5-9(16)3-4-10(7)21-11-6-20-13(14(17,18)19)8(2)12(11)15/h3-6H,1-2H3
InChIKeyYIHPNLYHXGWOCA-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

3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine
CID 169249031
5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid
CID 114203062
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
CID 163361366
2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175967839
2-amino-5-(4-fluoro-2-methylphenoxy)pyridine-4-carboxamide
CID 114195706
3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine
CID 170311860
4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid
CID 169097100
5-(1-fluorocyclopropyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoic acid
CID 163361486
[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196772
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine (CID 169249279) is 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine is Cc1cc(F)ccc1Oc1cnc(C(F)(F)F)c(C)c1Br.
What is the InChIKey of 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is YIHPNLYHXGWOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c1-7-5-9(16)3-4-10(7)21-11-6-20-13(14(17,18)19)8(2)12(11)15/h3-6H,1-2H3.
What are the key properties of 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine?
4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(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 4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 169249279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).