3-fluoro-4-(2,4,6-trichlorophenyl)pyridine

C11H5Cl3FN — CID 133090356

IUPAC3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
SMILESFc1cnccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H5Cl3FN/c12-6-3-8(13)11(9(14)4-6)7-1-2-16-5-10(7)15/h1-5H
InChIKeyOKEOTCYNPKSKIF-UHFFFAOYSA-N
MW276.52 g/mol
LogP4.85
Rot. Bonds1

About 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine

3-fluoro-4-(2,4,6-trichlorophenyl)pyridine (PubChem CID 133090356) has the molecular formula C11H5Cl3FN and a molecular weight of 276.52 g/mol. Its IUPAC name is 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
PubChem CID133090356
Molecular FormulaC11H5Cl3FN
Molecular Weight276.52 g/mol
Exact Mass274.95
IUPAC Name3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
SMILESFc1cnccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H5Cl3FN/c12-6-3-8(13)11(9(14)4-6)7-1-2-16-5-10(7)15/h1-5H
InChIKeyOKEOTCYNPKSKIF-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine?
The IUPAC name of 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine (CID 133090356) is 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine.
What is the SMILES notation for 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine?
The canonical SMILES for 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine is Fc1cnccc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine?
The InChIKey is OKEOTCYNPKSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FN/c12-6-3-8(13)11(9(14)4-6)7-1-2-16-5-10(7)15/h1-5H.
What are the key properties of 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine?
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine has a molecular weight of 276.52 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2,4,6-trichlorophenyl)pyridine is sourced from PubChem (CID 133090356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).