2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine

C13H7F4N — CID 1402131

IUPAC2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine
SMILESFc1nc(F)c(F)c(/C=C/c2ccccc2)c1F
InChIInChI=1S/C13H7F4N/c14-10-9(11(15)13(17)18-12(10)16)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyKFXZEDWCLQRIQW-VOTSOKGWSA-N
MW253.20 g/mol
LogP3.81
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine

2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine (PubChem CID 1402131) has the molecular formula C13H7F4N and a molecular weight of 253.20 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine
PubChem CID1402131
Molecular FormulaC13H7F4N
Molecular Weight253.20 g/mol
Exact Mass253.05
IUPAC Name2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine
SMILESFc1nc(F)c(F)c(/C=C/c2ccccc2)c1F
InChIInChI=1S/C13H7F4N/c14-10-9(11(15)13(17)18-12(10)16)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyKFXZEDWCLQRIQW-VOTSOKGWSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine (CID 1402131) is 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine is Fc1nc(F)c(F)c(/C=C/c2ccccc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine?
The InChIKey is KFXZEDWCLQRIQW-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H7F4N/c14-10-9(11(15)13(17)18-12(10)16)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine?
2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine has a molecular weight of 253.20 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine is sourced from PubChem (CID 1402131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).