6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine

C13H8Cl2F3NO — CID 87103607

IUPAC6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F3NO/c14-9-3-1-8(2-4-9)12-10(5-6-11(15)19-12)20-7-13(16,17)18/h1-6H,7H2
InChIKeyCCWBOZBPBSCOBG-UHFFFAOYSA-N
MW322.11 g/mol
LogP5.00
Rot. Bonds3

About 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine

6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 87103607) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine
PubChem CID87103607
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F3NO/c14-9-3-1-8(2-4-9)12-10(5-6-11(15)19-12)20-7-13(16,17)18/h1-6H,7H2
InChIKeyCCWBOZBPBSCOBG-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
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 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine (CID 87103607) is 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine is FC(F)(F)COc1ccc(Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is CCWBOZBPBSCOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-9-3-1-8(2-4-9)12-10(5-6-11(15)19-12)20-7-13(16,17)18/h1-6H,7H2.
What are the key properties of 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine?
6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 322.11 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 87103607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).