5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine

C13H8Cl2F3NO2 — CID 114921355

IUPAC5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESFC(F)(F)Oc1ccc(Oc2cc(CCl)c(Cl)cn2)cc1
InChIInChI=1S/C13H8Cl2F3NO2/c14-6-8-5-12(19-7-11(8)15)20-9-1-3-10(4-2-9)21-13(16,17)18/h1-5,7H,6H2
InChIKeyOAUAZZVCDSJSEU-UHFFFAOYSA-N
MW338.11 g/mol
LogP5.16
Rot. Bonds4

About 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine

5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 114921355) has the molecular formula C13H8Cl2F3NO2 and a molecular weight of 338.11 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
PubChem CID114921355
Molecular FormulaC13H8Cl2F3NO2
Molecular Weight338.11 g/mol
Exact Mass336.99
IUPAC Name5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESFC(F)(F)Oc1ccc(Oc2cc(CCl)c(Cl)cn2)cc1
InChIInChI=1S/C13H8Cl2F3NO2/c14-6-8-5-12(19-7-11(8)15)20-9-1-3-10(4-2-9)21-13(16,17)18/h1-5,7H,6H2
InChIKeyOAUAZZVCDSJSEU-UHFFFAOYSA-N
XLogP5.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.11
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928111
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
CID 114920629
[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
CID 114920713
5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
CID 114921335
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
CID 103241999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine (CID 114921355) is 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine is FC(F)(F)Oc1ccc(Oc2cc(CCl)c(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is OAUAZZVCDSJSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2/c14-6-8-5-12(19-7-11(8)15)20-9-1-3-10(4-2-9)21-13(16,17)18/h1-5,7H,6H2.
What are the key properties of 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 338.11 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 114921355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).