5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile

C24H17FN4 — CID 66829386

IUPAC5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2ncccc2CC(c2cccnc2)c2cccnc2)ccc1F
InChIInChI=1S/C24H17FN4/c25-23-8-7-18(12-21(23)14-26)24-17(4-3-11-29-24)13-22(19-5-1-9-27-15-19)20-6-2-10-28-16-20/h1-12,15-16,22H,13H2
InChIKeyJSQPVHVIKYYYGO-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.92
Rot. Bonds5

About 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile

5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile (PubChem CID 66829386) has the molecular formula C24H17FN4 and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile
PubChem CID66829386
Molecular FormulaC24H17FN4
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2ncccc2CC(c2cccnc2)c2cccnc2)ccc1F
InChIInChI=1S/C24H17FN4/c25-23-8-7-18(12-21(23)14-26)24-17(4-3-11-29-24)13-22(19-5-1-9-27-15-19)20-6-2-10-28-16-20/h1-12,15-16,22H,13H2
InChIKeyJSQPVHVIKYYYGO-UHFFFAOYSA-N
XLogP4.92
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile (CID 66829386) is 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile is N#Cc1cc(-c2ncccc2CC(c2cccnc2)c2cccnc2)ccc1F.
What is the InChIKey of 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile?
The InChIKey is JSQPVHVIKYYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4/c25-23-8-7-18(12-21(23)14-26)24-17(4-3-11-29-24)13-22(19-5-1-9-27-15-19)20-6-2-10-28-16-20/h1-12,15-16,22H,13H2.
What are the key properties of 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile?
5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile has a molecular weight of 380.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2-fluorobenzonitrile is sourced from PubChem (CID 66829386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).