4-fluoro-1-(2-pyridin-3-ylethyl)indole

C15H13FN2 — CID 82794108

IUPAC4-fluoro-1-(2-pyridin-3-ylethyl)indole
SMILESFc1cccc2c1ccn2CCc1cccnc1
InChIInChI=1S/C15H13FN2/c16-14-4-1-5-15-13(14)7-10-18(15)9-6-12-3-2-8-17-11-12/h1-5,7-8,10-11H,6,9H2
InChIKeyPDELXUABUJFJQD-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.42
Rot. Bonds3

About 4-fluoro-1-(2-pyridin-3-ylethyl)indole

4-fluoro-1-(2-pyridin-3-ylethyl)indole (PubChem CID 82794108) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-fluoro-1-(2-pyridin-3-ylethyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(2-pyridin-3-ylethyl)indole
PubChem CID82794108
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name4-fluoro-1-(2-pyridin-3-ylethyl)indole
SMILESFc1cccc2c1ccn2CCc1cccnc1
InChIInChI=1S/C15H13FN2/c16-14-4-1-5-15-13(14)7-10-18(15)9-6-12-3-2-8-17-11-12/h1-5,7-8,10-11H,6,9H2
InChIKeyPDELXUABUJFJQD-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-pyridin-3-ylethyl)indole?
The IUPAC name of 4-fluoro-1-(2-pyridin-3-ylethyl)indole (CID 82794108) is 4-fluoro-1-(2-pyridin-3-ylethyl)indole.
What is the SMILES notation for 4-fluoro-1-(2-pyridin-3-ylethyl)indole?
The canonical SMILES for 4-fluoro-1-(2-pyridin-3-ylethyl)indole is Fc1cccc2c1ccn2CCc1cccnc1.
What is the InChIKey of 4-fluoro-1-(2-pyridin-3-ylethyl)indole?
The InChIKey is PDELXUABUJFJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-14-4-1-5-15-13(14)7-10-18(15)9-6-12-3-2-8-17-11-12/h1-5,7-8,10-11H,6,9H2.
What are the key properties of 4-fluoro-1-(2-pyridin-3-ylethyl)indole?
4-fluoro-1-(2-pyridin-3-ylethyl)indole has a molecular weight of 240.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-pyridin-3-ylethyl)indole is sourced from PubChem (CID 82794108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).