2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine

C13H8BrClF3NO — CID 166089670

IUPAC2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1cc(Cl)ccc1COc1cccc(Br)n1
InChIInChI=1S/C13H8BrClF3NO/c14-11-2-1-3-12(19-11)20-7-8-4-5-9(15)6-10(8)13(16,17)18/h1-6H,7H2
InChIKeyTVLCKSCXBFYXKM-UHFFFAOYSA-N
MW366.56 g/mol
LogP5.10
Rot. Bonds3

About 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine

2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine (PubChem CID 166089670) has the molecular formula C13H8BrClF3NO and a molecular weight of 366.56 g/mol. Its IUPAC name is 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine
PubChem CID166089670
Molecular FormulaC13H8BrClF3NO
Molecular Weight366.56 g/mol
Exact Mass364.94
IUPAC Name2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1cc(Cl)ccc1COc1cccc(Br)n1
InChIInChI=1S/C13H8BrClF3NO/c14-11-2-1-3-12(19-11)20-7-8-4-5-9(15)6-10(8)13(16,17)18/h1-6H,7H2
InChIKeyTVLCKSCXBFYXKM-UHFFFAOYSA-N
XLogP5.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.56
LogP ≤ 55.10
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine?
The IUPAC name of 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine (CID 166089670) is 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine?
The canonical SMILES for 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine is FC(F)(F)c1cc(Cl)ccc1COc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine?
The InChIKey is TVLCKSCXBFYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3NO/c14-11-2-1-3-12(19-11)20-7-8-4-5-9(15)6-10(8)13(16,17)18/h1-6H,7H2.
What are the key properties of 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine?
2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine has a molecular weight of 366.56 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 166089670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).