2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole

C25H16F2N2 — CID 102340069

IUPAC2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)n(-c3ccccn3)c3ccccc23)cc1
InChIInChI=1S/C25H16F2N2/c26-19-12-8-17(9-13-19)24-21-5-1-2-6-22(21)29(23-7-3-4-16-28-23)25(24)18-10-14-20(27)15-11-18/h1-16H
InChIKeyILDPCBYQQZPYCI-UHFFFAOYSA-N
MW382.41 g/mol
LogP6.64
Rot. Bonds3

About 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole

2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole (PubChem CID 102340069) has the molecular formula C25H16F2N2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole
PubChem CID102340069
Molecular FormulaC25H16F2N2
Molecular Weight382.41 g/mol
Exact Mass382.13
IUPAC Name2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)n(-c3ccccn3)c3ccccc23)cc1
InChIInChI=1S/C25H16F2N2/c26-19-12-8-17(9-13-19)24-21-5-1-2-6-22(21)29(23-7-3-4-16-28-23)25(24)18-10-14-20(27)15-11-18/h1-16H
InChIKeyILDPCBYQQZPYCI-UHFFFAOYSA-N
XLogP6.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole?
The IUPAC name of 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole (CID 102340069) is 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole is Fc1ccc(-c2c(-c3ccc(F)cc3)n(-c3ccccn3)c3ccccc23)cc1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole?
The InChIKey is ILDPCBYQQZPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N2/c26-19-12-8-17(9-13-19)24-21-5-1-2-6-22(21)29(23-7-3-4-16-28-23)25(24)18-10-14-20(27)15-11-18/h1-16H.
What are the key properties of 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole?
2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole has a molecular weight of 382.41 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-1-pyridin-2-ylindole is sourced from PubChem (CID 102340069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).