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

C14H10BrClF3NO — CID 104799161

IUPAC3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cc(CCl)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C14H10BrClF3NO/c15-11-3-10(6-20-7-11)8-21-13-2-1-9(5-16)4-12(13)14(17,18)19/h1-4,6-7H,5,8H2
InChIKeyASWHOMJYDKUBGD-UHFFFAOYSA-N
MW380.59 g/mol
LogP5.18
Rot. Bonds4

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

3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 104799161) has the molecular formula C14H10BrClF3NO and a molecular weight of 380.59 g/mol. Its IUPAC name is 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID104799161
Molecular FormulaC14H10BrClF3NO
Molecular Weight380.59 g/mol
Exact Mass378.96
IUPAC Name3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cc(CCl)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C14H10BrClF3NO/c15-11-3-10(6-20-7-11)8-21-13-2-1-9(5-16)4-12(13)14(17,18)19/h1-4,6-7H,5,8H2
InChIKeyASWHOMJYDKUBGD-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.59
LogP ≤ 55.18
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-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 112641156
3-bromo-5-[[5-(chloromethyl)-2-nitrophenoxy]methyl]pyridine
CID 104799147
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237
4-(chloromethyl)-1-propoxy-2-(trifluoromethyl)benzene
CID 63320761
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
4-(chloromethyl)-1-pentoxy-2-(trifluoromethyl)benzene
CID 55224005

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine (CID 104799161) is 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine is FC(F)(F)c1cc(CCl)ccc1OCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is ASWHOMJYDKUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO/c15-11-3-10(6-20-7-11)8-21-13-2-1-9(5-16)4-12(13)14(17,18)19/h1-4,6-7H,5,8H2.
What are the key properties of 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine?
3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 380.59 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 104799161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).