2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine

C13H8Cl2F3NO — CID 106994341

IUPAC2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1ccccc1OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-11-6-5-8(12(15)19-11)7-20-10-4-2-1-3-9(10)13(16,17)18/h1-6H,7H2
InChIKeyVJXYGFCTQBUHNC-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.99
Rot. Bonds3

About 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine

2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 106994341) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID106994341
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1ccccc1OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-11-6-5-8(12(15)19-11)7-20-10-4-2-1-3-9(10)13(16,17)18/h1-6H,7H2
InChIKeyVJXYGFCTQBUHNC-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-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219492
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
2-chloro-6-[2-(trifluoromethyl)phenoxy]pyridine
CID 63588771
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
CID 117187213
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
CID 18504688
[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 55077539

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine (CID 106994341) is 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine is FC(F)(F)c1ccccc1OCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is VJXYGFCTQBUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-11-6-5-8(12(15)19-11)7-20-10-4-2-1-3-9(10)13(16,17)18/h1-6H,7H2.
What are the key properties of 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine?
2,6-dichloro-3-[[2-(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 2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 106994341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).