2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine

C16H10ClFI2N2S — CID 21099449

IUPAC2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine
SMILESClc1ccc(I)cn1.Fc1ccc(Sc2ccc(I)cn2)cc1
InChIInChI=1S/C11H7FINS.C5H3ClIN/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11;6-5-2-1-4(7)3-8-5/h1-7H;1-3H
InChIKeyZYQYVKDQBAHFJT-UHFFFAOYSA-N
MW570.60 g/mol
LogP6.32
Rot. Bonds2

About 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine

2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine (PubChem CID 21099449) has the molecular formula C16H10ClFI2N2S and a molecular weight of 570.60 g/mol. Its IUPAC name is 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine.

Molecular Properties

Compound Name2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine
PubChem CID21099449
Molecular FormulaC16H10ClFI2N2S
Molecular Weight570.60 g/mol
Exact Mass569.83
IUPAC Name2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine
SMILESClc1ccc(I)cn1.Fc1ccc(Sc2ccc(I)cn2)cc1
InChIInChI=1S/C11H7FINS.C5H3ClIN/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11;6-5-2-1-4(7)3-8-5/h1-7H;1-3H
InChIKeyZYQYVKDQBAHFJT-UHFFFAOYSA-N
XLogP6.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.60
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine?
The IUPAC name of 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine (CID 21099449) is 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine.
What is the SMILES notation for 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine?
The canonical SMILES for 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine is Clc1ccc(I)cn1.Fc1ccc(Sc2ccc(I)cn2)cc1.
What is the InChIKey of 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine?
The InChIKey is ZYQYVKDQBAHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FINS.C5H3ClIN/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11;6-5-2-1-4(7)3-8-5/h1-7H;1-3H.
What are the key properties of 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine?
2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine has a molecular weight of 570.60 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine is sourced from PubChem (CID 21099449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).