6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole

C15H11FN2 — CID 10014426

IUPAC6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
SMILESC1=CC(=CN=C1)/C=C/C2=CNC3=C2C=CC(=C3)F
InChIInChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
InChIKeyYBSDQTBCNYWBMX-ONEGZZNKSA-N
MW238.26 g/mol
LogP3.30
Rot. Bonds2

About 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole

6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole (PubChem CID 10014426) has the molecular formula C15H11FN2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole.

Molecular Properties

Compound Name6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
PubChem CID10014426
Molecular FormulaC15H11FN2
Molecular Weight238.26 g/mol
Exact Mass238.09
IUPAC Name6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
SMILESC1=CC(=CN=C1)/C=C/C2=CNC3=C2C=CC(=C3)F
InChIInChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
InChIKeyYBSDQTBCNYWBMX-ONEGZZNKSA-N
XLogP3.30
TPSA28.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity305

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole?
The IUPAC name of 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole (CID 10014426) is 6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole.
What is the SMILES notation for 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole?
The canonical SMILES for 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole is C1=CC(=CN=C1)/C=C/C2=CNC3=C2C=CC(=C3)F.
What is the InChIKey of 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole?
The InChIKey is YBSDQTBCNYWBMX-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+.
What are the key properties of 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole?
6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole has a molecular weight of 238.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole is sourced from PubChem (CID 10014426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).