3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine

C24H18ClFN2 — CID 90926194

IUPAC3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine
SMILESFc1ccc(C(c2cccnc2)C(c2ccncc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18ClFN2/c25-21-7-3-17(4-8-21)23(19-11-14-27-15-12-19)24(20-2-1-13-28-16-20)18-5-9-22(26)10-6-18/h1-16,23-24H
InChIKeyPTLLRZKBQNVTGL-UHFFFAOYSA-N
MW388.87 g/mol
LogP6.23
Rot. Bonds5

About 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine

3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine (PubChem CID 90926194) has the molecular formula C24H18ClFN2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine
PubChem CID90926194
Molecular FormulaC24H18ClFN2
Molecular Weight388.87 g/mol
Exact Mass388.11
IUPAC Name3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine
SMILESFc1ccc(C(c2cccnc2)C(c2ccncc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18ClFN2/c25-21-7-3-17(4-8-21)23(19-11-14-27-15-12-19)24(20-2-1-13-28-16-20)18-5-9-22(26)10-6-18/h1-16,23-24H
InChIKeyPTLLRZKBQNVTGL-UHFFFAOYSA-N
XLogP6.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.87
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine?
The IUPAC name of 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine (CID 90926194) is 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine?
The canonical SMILES for 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine is Fc1ccc(C(c2cccnc2)C(c2ccncc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine?
The InChIKey is PTLLRZKBQNVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2/c25-21-7-3-17(4-8-21)23(19-11-14-27-15-12-19)24(20-2-1-13-28-16-20)18-5-9-22(26)10-6-18/h1-16,23-24H.
What are the key properties of 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine?
3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine has a molecular weight of 388.87 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-1-(4-fluorophenyl)-2-pyridin-4-ylethyl]pyridine is sourced from PubChem (CID 90926194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).