2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine

C23H17ClFN3 — CID 11567286

IUPAC2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(c2cccnc2Cl)C(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H17ClFN3/c24-23-20(6-3-13-28-23)22(16-7-9-19(25)10-8-16)21(17-4-1-11-26-14-17)18-5-2-12-27-15-18/h1-15,21-22H
InChIKeyFOOAXYVEABFJJT-UHFFFAOYSA-N
MW389.86 g/mol
LogP5.63
Rot. Bonds5

About 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine

2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine (PubChem CID 11567286) has the molecular formula C23H17ClFN3 and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine
PubChem CID11567286
Molecular FormulaC23H17ClFN3
Molecular Weight389.86 g/mol
Exact Mass389.11
IUPAC Name2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(c2cccnc2Cl)C(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H17ClFN3/c24-23-20(6-3-13-28-23)22(16-7-9-19(25)10-8-16)21(17-4-1-11-26-14-17)18-5-2-12-27-15-18/h1-15,21-22H
InChIKeyFOOAXYVEABFJJT-UHFFFAOYSA-N
XLogP5.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
The IUPAC name of 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine (CID 11567286) is 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine.
What is the SMILES notation for 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
The canonical SMILES for 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine is Fc1ccc(C(c2cccnc2Cl)C(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
The InChIKey is FOOAXYVEABFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3/c24-23-20(6-3-13-28-23)22(16-7-9-19(25)10-8-16)21(17-4-1-11-26-14-17)18-5-2-12-27-15-18/h1-15,21-22H.
What are the key properties of 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine has a molecular weight of 389.86 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine is sourced from PubChem (CID 11567286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).