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

C23H17ClFN3 — CID 91119135

IUPAC2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2Cl)(c2cccnc2)c2ccccn2)cc1
InChIInChI=1S/C23H17ClFN3/c24-22-17(5-3-14-28-22)15-23(19-6-4-12-26-16-19,21-7-1-2-13-27-21)18-8-10-20(25)11-9-18/h1-14,16H,15H2
InChIKeyWBLXHCLDGIQKQA-UHFFFAOYSA-N
MW389.86 g/mol
LogP5.24
Rot. Bonds5

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

2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine (PubChem CID 91119135) 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-2-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine
PubChem CID91119135
Molecular FormulaC23H17ClFN3
Molecular Weight389.86 g/mol
Exact Mass389.11
IUPAC Name2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2Cl)(c2cccnc2)c2ccccn2)cc1
InChIInChI=1S/C23H17ClFN3/c24-22-17(5-3-14-28-22)15-23(19-6-4-12-26-16-19,21-7-1-2-13-27-21)18-8-10-20(25)11-9-18/h1-14,16H,15H2
InChIKeyWBLXHCLDGIQKQA-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
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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Related Compounds

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(-)-Chlorpheniramine
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4,4'-Diphenyl-2,2'-bipyridine
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4'-(4-Pyridyl)-2,2':6',2''-terpyridine
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2,6-Bis(2-pyridyl)-4-phenylpyridine
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CID 44399361
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
13-Chloro-2-[1-[(2-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 9979272
8-chloro-11-(1-(pyridin-3-ylmethyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
CID 10069660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine?
The IUPAC name of 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine (CID 91119135) is 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine is Fc1ccc(C(Cc2cccnc2Cl)(c2cccnc2)c2ccccn2)cc1.
What is the InChIKey of 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine?
The InChIKey is WBLXHCLDGIQKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3/c24-22-17(5-3-14-28-22)15-23(19-6-4-12-26-16-19,21-7-1-2-13-27-21)18-8-10-20(25)11-9-18/h1-14,16H,15H2.
What are the key properties of 2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine?
2-chloro-3-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine has a molecular weight of 389.86 g/mol, XLogP of 5.24, 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-2-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 91119135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).