3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine

C24H17Cl2FN2 — CID 66829391

IUPAC3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C24H17Cl2FN2/c25-19-10-18(11-20(26)12-19)24-13-21(27)5-6-22(24)23(17-4-2-8-29-15-17)9-16-3-1-7-28-14-16/h1-8,10-15,23H,9H2
InChIKeyZYJOUBJUMULYMS-UHFFFAOYSA-N
MW423.32 g/mol
LogP6.96
Rot. Bonds5

About 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine

3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine (PubChem CID 66829391) has the molecular formula C24H17Cl2FN2 and a molecular weight of 423.32 g/mol. Its IUPAC name is 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine
PubChem CID66829391
Molecular FormulaC24H17Cl2FN2
Molecular Weight423.32 g/mol
Exact Mass422.08
IUPAC Name3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C24H17Cl2FN2/c25-19-10-18(11-20(26)12-19)24-13-21(27)5-6-22(24)23(17-4-2-8-29-15-17)9-16-3-1-7-28-14-16/h1-8,10-15,23H,9H2
InChIKeyZYJOUBJUMULYMS-UHFFFAOYSA-N
XLogP6.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
The IUPAC name of 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine (CID 66829391) is 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine is Fc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
The InChIKey is ZYJOUBJUMULYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2/c25-19-10-18(11-20(26)12-19)24-13-21(27)5-6-22(24)23(17-4-2-8-29-15-17)9-16-3-1-7-28-14-16/h1-8,10-15,23H,9H2.
What are the key properties of 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine has a molecular weight of 423.32 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3,5-dichlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 66829391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).