2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine

C13H8Cl2F3NO — CID 116519388

IUPAC2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cccc(OCc2cnc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl2F3NO/c14-11-5-12(15)19-6-8(11)7-20-10-3-1-2-9(4-10)13(16,17)18/h1-6H,7H2
InChIKeyQQYBWIRLZAIRNK-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.99
Rot. Bonds3

About 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine

2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 116519388) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID116519388
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cccc(OCc2cnc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl2F3NO/c14-11-5-12(15)19-6-8(11)7-20-10-3-1-2-9(4-10)13(16,17)18/h1-6H,7H2
InChIKeyQQYBWIRLZAIRNK-UHFFFAOYSA-N
XLogP4.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211
2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
CID 116519336
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
CID 117191481
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
CID 18974771
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-triazol-4-amine
CID 117214169
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine (CID 116519388) is 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine is FC(F)(F)c1cccc(OCc2cnc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is QQYBWIRLZAIRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-11-5-12(15)19-6-8(11)7-20-10-3-1-2-9(4-10)13(16,17)18/h1-6H,7H2.
What are the key properties of 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 322.11 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 116519388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).