5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole

C15H11FN2 — CID 6442835

IUPAC5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
SMILESFc1ccc2[nH]cc(/C=C/c3ccncc3)c2c1
InChIInChI=1S/C15H11FN2/c16-13-3-4-15-14(9-13)12(10-18-15)2-1-11-5-7-17-8-6-11/h1-10,18H/b2-1+
InChIKeyRXOULJUHAPQWKF-OWOJBTEDSA-N
MW238.27 g/mol
LogP3.87
Rot. Bonds2

About 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole

5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole (PubChem CID 6442835) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
PubChem CID6442835
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
SMILESFc1ccc2[nH]cc(/C=C/c3ccncc3)c2c1
InChIInChI=1S/C15H11FN2/c16-13-3-4-15-14(9-13)12(10-18-15)2-1-11-5-7-17-8-6-11/h1-10,18H/b2-1+
InChIKeyRXOULJUHAPQWKF-OWOJBTEDSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole (CID 6442835) is 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole is Fc1ccc2[nH]cc(/C=C/c3ccncc3)c2c1.
What is the InChIKey of 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
The InChIKey is RXOULJUHAPQWKF-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H11FN2/c16-13-3-4-15-14(9-13)12(10-18-15)2-1-11-5-7-17-8-6-11/h1-10,18H/b2-1+.
What are the key properties of 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole has a molecular weight of 238.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole is sourced from PubChem (CID 6442835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).