3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine

C14H11BrF3NO — CID 63320237

IUPAC3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cc(CBr)ccc1OCc1cccnc1
InChIInChI=1S/C14H11BrF3NO/c15-7-10-3-4-13(12(6-10)14(16,17)18)20-9-11-2-1-5-19-8-11/h1-6,8H,7,9H2
InChIKeyHHNPERUIFFYDLV-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.57
Rot. Bonds4

About 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine

3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 63320237) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID63320237
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cc(CBr)ccc1OCc1cccnc1
InChIInChI=1S/C14H11BrF3NO/c15-7-10-3-4-13(12(6-10)14(16,17)18)20-9-11-2-1-5-19-8-11/h1-6,8H,7,9H2
InChIKeyHHNPERUIFFYDLV-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.57
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

3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63534904
4-(bromomethyl)-1-[(2-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63535396
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 104799161
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
CID 176960080
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
4-(bromomethyl)-1-(3-methoxypropoxy)-2-(trifluoromethyl)benzene
CID 63320546
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine (CID 63320237) is 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine is FC(F)(F)c1cc(CBr)ccc1OCc1cccnc1.
What is the InChIKey of 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is HHNPERUIFFYDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-7-10-3-4-13(12(6-10)14(16,17)18)20-9-11-2-1-5-19-8-11/h1-6,8H,7,9H2.
What are the key properties of 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 346.15 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 63320237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).