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

C24H18ClFN2 — CID 69286275

IUPAC3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H18ClFN2/c25-20-7-1-5-18(13-20)24-14-21(26)8-9-22(24)23(19-6-3-11-28-16-19)12-17-4-2-10-27-15-17/h1-11,13-16,23H,12H2
InChIKeyXSMNGWYJYQHOEQ-UHFFFAOYSA-N
MW388.87 g/mol
LogP6.31
Rot. Bonds5

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

3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine (PubChem CID 69286275) has the molecular formula C24H18ClFN2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine
PubChem CID69286275
Molecular FormulaC24H18ClFN2
Molecular Weight388.87 g/mol
Exact Mass388.11
IUPAC Name3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H18ClFN2/c25-20-7-1-5-18(13-20)24-14-21(26)8-9-22(24)23(19-6-3-11-28-16-19)12-17-4-2-10-27-15-17/h1-11,13-16,23H,12H2
InChIKeyXSMNGWYJYQHOEQ-UHFFFAOYSA-N
XLogP6.31
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 ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
The IUPAC name of 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine (CID 69286275) is 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine is Fc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
The InChIKey is XSMNGWYJYQHOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2/c25-20-7-1-5-18(13-20)24-14-21(26)8-9-22(24)23(19-6-3-11-28-16-19)12-17-4-2-10-27-15-17/h1-11,13-16,23H,12H2.
What are the key properties of 3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine?
3-[1-[2-(3-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine has a molecular weight of 388.87 g/mol, XLogP of 6.31, 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-chlorophenyl)-4-fluorophenyl]-2-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 69286275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).