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

C12H8ClF3N2O — CID 90198722

IUPAC2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine
SMILESFC(F)(F)c1cccc(COc2ccnc(Cl)c2)n1
InChIInChI=1S/C12H8ClF3N2O/c13-11-6-9(4-5-17-11)19-7-8-2-1-3-10(18-8)12(14,15)16/h1-6H,7H2
InChIKeyVMZYLSKORLPEDH-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.73
Rot. Bonds3

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

2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine (PubChem CID 90198722) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine
PubChem CID90198722
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine
SMILESFC(F)(F)c1cccc(COc2ccnc(Cl)c2)n1
InChIInChI=1S/C12H8ClF3N2O/c13-11-6-9(4-5-17-11)19-7-8-2-1-3-10(18-8)12(14,15)16/h1-6H,7H2
InChIKeyVMZYLSKORLPEDH-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine?
The IUPAC name of 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine (CID 90198722) is 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine?
The canonical SMILES for 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine is FC(F)(F)c1cccc(COc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine?
The InChIKey is VMZYLSKORLPEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c13-11-6-9(4-5-17-11)19-7-8-2-1-3-10(18-8)12(14,15)16/h1-6H,7H2.
What are the key properties of 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine?
2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine has a molecular weight of 288.66 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridine is sourced from PubChem (CID 90198722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).