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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Related Compounds

1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
CID 135062929
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine
CID 132595490
2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole
CID 175311793
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774
2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
CID 171364975
butyl (E)-3-(2-pyrrolo[2,3-b]pyridin-1-ylphenyl)prop-2-enoate
CID 132512074
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102107805
1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
CID 142666921
CID 174887707
CID 174887707

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).