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

C23H17ClFN3 — CID 11653979

IUPAC2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(c2ccccn2)C(c2cccnc2)c2cccnc2Cl)cc1
InChIInChI=1S/C23H17ClFN3/c24-23-19(6-4-14-28-23)21(17-5-3-12-26-15-17)22(20-7-1-2-13-27-20)16-8-10-18(25)11-9-16/h1-15,21-22H
InChIKeyFGRYTGKFILLJDS-UHFFFAOYSA-N
MW389.86 g/mol
LogP5.63
Rot. Bonds5

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

2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine (PubChem CID 11653979) has the molecular formula C23H17ClFN3 and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine
PubChem CID11653979
Molecular FormulaC23H17ClFN3
Molecular Weight389.86 g/mol
Exact Mass389.11
IUPAC Name2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(c2ccccn2)C(c2cccnc2)c2cccnc2Cl)cc1
InChIInChI=1S/C23H17ClFN3/c24-23-19(6-4-14-28-23)21(17-5-3-12-26-15-17)22(20-7-1-2-13-27-20)16-8-10-18(25)11-9-16/h1-15,21-22H
InChIKeyFGRYTGKFILLJDS-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-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
The IUPAC name of 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine (CID 11653979) is 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine is Fc1ccc(C(c2ccccn2)C(c2cccnc2)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
The InChIKey is FGRYTGKFILLJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3/c24-23-19(6-4-14-28-23)21(17-5-3-12-26-15-17)22(20-7-1-2-13-27-20)16-8-10-18(25)11-9-16/h1-15,21-22H.
What are the key properties of 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-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-[2-(4-fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 11653979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).