6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine

C14H9ClF3N — CID 121400157

IUPAC6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine
SMILESC=Cc1cc(Cl)nc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C14H9ClF3N/c1-2-9-8-11(15)19-13(12(9)14(16,17)18)10-6-4-3-5-7-10/h2-8H,1H2
InChIKeyTVRBWPWCWJZZSX-UHFFFAOYSA-N
MW283.68 g/mol
LogP5.06
Rot. Bonds2

About 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine

6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine (PubChem CID 121400157) has the molecular formula C14H9ClF3N and a molecular weight of 283.68 g/mol. Its IUPAC name is 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine
PubChem CID121400157
Molecular FormulaC14H9ClF3N
Molecular Weight283.68 g/mol
Exact Mass283.04
IUPAC Name6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine
SMILESC=Cc1cc(Cl)nc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C14H9ClF3N/c1-2-9-8-11(15)19-13(12(9)14(16,17)18)10-6-4-3-5-7-10/h2-8H,1H2
InChIKeyTVRBWPWCWJZZSX-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.68
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine (CID 121400157) is 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine is C=Cc1cc(Cl)nc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine?
The InChIKey is TVRBWPWCWJZZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N/c1-2-9-8-11(15)19-13(12(9)14(16,17)18)10-6-4-3-5-7-10/h2-8H,1H2.
What are the key properties of 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine?
6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine has a molecular weight of 283.68 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 121400157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).