2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine

C13H8F3N — CID 66775546

IUPAC2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine
SMILESFc1ccc(C=Cc2ccccn2)c(F)c1F
InChIInChI=1S/C13H8F3N/c14-11-7-5-9(12(15)13(11)16)4-6-10-3-1-2-8-17-10/h1-8H
InChIKeyMHOUWRKTDKEIQG-UHFFFAOYSA-N
MW235.21 g/mol
LogP3.67
Rot. Bonds2

About 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine

2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine (PubChem CID 66775546) has the molecular formula C13H8F3N and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine
PubChem CID66775546
Molecular FormulaC13H8F3N
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine
SMILESFc1ccc(C=Cc2ccccn2)c(F)c1F
InChIInChI=1S/C13H8F3N/c14-11-7-5-9(12(15)13(11)16)4-6-10-3-1-2-8-17-10/h1-8H
InChIKeyMHOUWRKTDKEIQG-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine?
The IUPAC name of 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine (CID 66775546) is 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine.
What is the SMILES notation for 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine?
The canonical SMILES for 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine is Fc1ccc(C=Cc2ccccn2)c(F)c1F.
What is the InChIKey of 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine?
The InChIKey is MHOUWRKTDKEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N/c14-11-7-5-9(12(15)13(11)16)4-6-10-3-1-2-8-17-10/h1-8H.
What are the key properties of 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine?
2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine has a molecular weight of 235.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trifluorophenyl)ethenyl]pyridine is sourced from PubChem (CID 66775546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).