3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine

C11H4ClF4N — CID 46317217

IUPAC3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine
SMILESFc1c(F)c(-c2cccnc2)c(F)c(F)c1Cl
InChIInChI=1S/C11H4ClF4N/c12-7-10(15)8(13)6(9(14)11(7)16)5-2-1-3-17-4-5/h1-4H
InChIKeyJGAJVWHYSDVNNB-UHFFFAOYSA-N
MW261.61 g/mol
LogP3.96
Rot. Bonds1

About 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine

3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine (PubChem CID 46317217) has the molecular formula C11H4ClF4N and a molecular weight of 261.61 g/mol. Its IUPAC name is 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine.

Molecular Properties

Compound Name3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine
PubChem CID46317217
Molecular FormulaC11H4ClF4N
Molecular Weight261.61 g/mol
Exact Mass261.00
IUPAC Name3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine
SMILESFc1c(F)c(-c2cccnc2)c(F)c(F)c1Cl
InChIInChI=1S/C11H4ClF4N/c12-7-10(15)8(13)6(9(14)11(7)16)5-2-1-3-17-4-5/h1-4H
InChIKeyJGAJVWHYSDVNNB-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.61
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine?
The IUPAC name of 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine (CID 46317217) is 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine.
What is the SMILES notation for 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine?
The canonical SMILES for 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine is Fc1c(F)c(-c2cccnc2)c(F)c(F)c1Cl.
What is the InChIKey of 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine?
The InChIKey is JGAJVWHYSDVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF4N/c12-7-10(15)8(13)6(9(14)11(7)16)5-2-1-3-17-4-5/h1-4H.
What are the key properties of 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine?
3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine has a molecular weight of 261.61 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine is sourced from PubChem (CID 46317217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).