1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine

C22H15F3N2 — CID 132595486

IUPAC1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1ccc(-n2ccc3cccnc32)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C22H15F3N2/c23-22(24,25)19-10-11-20(27-14-12-17-7-4-13-26-21(17)27)18(15-19)9-8-16-5-2-1-3-6-16/h1-15H/b9-8+
InChIKeyARIIPPUUJYCHRL-CMDGGOBGSA-N
MW364.37 g/mol
LogP6.21
Rot. Bonds3

About 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine

1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 132595486) has the molecular formula C22H15F3N2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID132595486
Molecular FormulaC22H15F3N2
Molecular Weight364.37 g/mol
Exact Mass364.12
IUPAC Name1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1ccc(-n2ccc3cccnc32)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C22H15F3N2/c23-22(24,25)19-10-11-20(27-14-12-17-7-4-13-26-21(17)27)18(15-19)9-8-16-5-2-1-3-6-16/h1-15H/b9-8+
InChIKeyARIIPPUUJYCHRL-CMDGGOBGSA-N
XLogP6.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine (CID 132595486) is 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine is FC(F)(F)c1ccc(-n2ccc3cccnc32)c(/C=C/c2ccccc2)c1.
What is the InChIKey of 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is ARIIPPUUJYCHRL-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H15F3N2/c23-22(24,25)19-10-11-20(27-14-12-17-7-4-13-26-21(17)27)18(15-19)9-8-16-5-2-1-3-6-16/h1-15H/b9-8+.
What are the key properties of 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 364.37 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 132595486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).