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

C13H8ClF4NO — CID 67971694

IUPAC2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine
SMILESFc1ccc(OCC(F)(F)F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClF4NO/c14-9-3-1-8(2-4-9)12-10(15)5-6-11(19-12)20-7-13(16,17)18/h1-6H,7H2
InChIKeyUQMDORSQRDUIRB-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.48
Rot. Bonds3

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

2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 67971694) has the molecular formula C13H8ClF4NO and a molecular weight of 305.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine
PubChem CID67971694
Molecular FormulaC13H8ClF4NO
Molecular Weight305.66 g/mol
Exact Mass305.02
IUPAC Name2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine
SMILESFc1ccc(OCC(F)(F)F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClF4NO/c14-9-3-1-8(2-4-9)12-10(15)5-6-11(19-12)20-7-13(16,17)18/h1-6H,7H2
InChIKeyUQMDORSQRDUIRB-UHFFFAOYSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine (CID 67971694) is 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine is Fc1ccc(OCC(F)(F)F)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is UQMDORSQRDUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO/c14-9-3-1-8(2-4-9)12-10(15)5-6-11(19-12)20-7-13(16,17)18/h1-6H,7H2.
What are the key properties of 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine?
2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 305.66 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-fluoro-6-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 67971694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).