5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine

C13H7BrClF4NO — CID 102747278

IUPAC5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1ccc(Oc2ncc(Br)cc2CCl)cc1C(F)(F)F
InChIInChI=1S/C13H7BrClF4NO/c14-8-3-7(5-15)12(20-6-8)21-9-1-2-11(16)10(4-9)13(17,18)19/h1-4,6H,5H2
InChIKeyGJCJNLUAEUWBOC-UHFFFAOYSA-N
MW384.55 g/mol
LogP5.53
Rot. Bonds3

About 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine

5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 102747278) has the molecular formula C13H7BrClF4NO and a molecular weight of 384.55 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
PubChem CID102747278
Molecular FormulaC13H7BrClF4NO
Molecular Weight384.55 g/mol
Exact Mass382.93
IUPAC Name5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1ccc(Oc2ncc(Br)cc2CCl)cc1C(F)(F)F
InChIInChI=1S/C13H7BrClF4NO/c14-8-3-7(5-15)12(20-6-8)21-9-1-2-11(16)10(4-9)13(17,18)19/h1-4,6H,5H2
InChIKeyGJCJNLUAEUWBOC-UHFFFAOYSA-N
XLogP5.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
CID 63446894
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
5-bromo-3-chloro-2-(3,4-difluorophenoxy)pyridine
CID 103583644
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
CID 106796453
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 63878321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine (CID 102747278) is 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine is Fc1ccc(Oc2ncc(Br)cc2CCl)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is GJCJNLUAEUWBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF4NO/c14-8-3-7(5-15)12(20-6-8)21-9-1-2-11(16)10(4-9)13(17,18)19/h1-4,6H,5H2.
What are the key properties of 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 384.55 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 102747278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).