4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine

C13H9BrF3NO — CID 67294068

IUPAC4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cc(Br)ccc1OCc1ccncc1
InChIInChI=1S/C13H9BrF3NO/c14-10-1-2-12(11(7-10)13(15,16)17)19-8-9-3-5-18-6-4-9/h1-7H,8H2
InChIKeyUSCSPIJZSVCIKI-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.44
Rot. Bonds3

About 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine

4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 67294068) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID67294068
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cc(Br)ccc1OCc1ccncc1
InChIInChI=1S/C13H9BrF3NO/c14-10-1-2-12(11(7-10)13(15,16)17)19-8-9-3-5-18-6-4-9/h1-7H,8H2
InChIKeyUSCSPIJZSVCIKI-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine (CID 67294068) is 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine is FC(F)(F)c1cc(Br)ccc1OCc1ccncc1.
What is the InChIKey of 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is USCSPIJZSVCIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c14-10-1-2-12(11(7-10)13(15,16)17)19-8-9-3-5-18-6-4-9/h1-7H,8H2.
What are the key properties of 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine?
4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 332.12 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-bromo-2-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 67294068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).