5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine

C16H10BrCl2IN2S — CID 158345938

IUPAC5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine
SMILESClc1ccc(I)cn1.Clc1ccc(Sc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H7BrClNS.C5H3ClIN/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10;6-5-2-1-4(7)3-8-5/h1-7H;1-3H
InChIKeyGRSSOCYLDVVZLT-UHFFFAOYSA-N
MW540.05 g/mol
LogP6.99
Rot. Bonds2

About 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine

5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine (PubChem CID 158345938) has the molecular formula C16H10BrCl2IN2S and a molecular weight of 540.05 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine
PubChem CID158345938
Molecular FormulaC16H10BrCl2IN2S
Molecular Weight540.05 g/mol
Exact Mass537.82
IUPAC Name5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine
SMILESClc1ccc(I)cn1.Clc1ccc(Sc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H7BrClNS.C5H3ClIN/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10;6-5-2-1-4(7)3-8-5/h1-7H;1-3H
InChIKeyGRSSOCYLDVVZLT-UHFFFAOYSA-N
XLogP6.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.05
LogP ≤ 56.99
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 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-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

Related Compounds

2-[(4-Bromophenyl)sulfanylmethyl]-4-chloropyridine;hydrochloride
CID 13058756
3-Bromo-2-chloro-5-phenylsulfanylpyridine
CID 135067558
2-[(4-Bromophenyl)sulfanylmethyl]-4-chloropyridine
CID 13058755
2-[(3-Bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine
CID 79733852
2-[(5-Bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine
CID 79733952
5-Bromo-2-[(5-chloro-2-pyridinyl)sulfanyl]-3-fluoropyridine
CID 108166470
5-Bromo-2-[(3-chloro-2-pyridinyl)sulfanyl]-3-fluoropyridine
CID 108166473
Bis(2-chloro-3-pyridinyl) sulfide
CID 1202610
2,2'-[1,2-Phenylenebis(thio)]bis[5-chloropyridine]
CID 20510885
5-Bromo-2-(3-chlorophenyl)sulfanylpyridine
CID 20689427
2-Chloro-5-iodopyridine;2-(4-fluorophenyl)sulfanyl-5-iodopyridine
CID 21099449
2-(4-Bromophenyl)sulfanyl-3-chloropyridine
CID 44127243

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine?
The IUPAC name of 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine (CID 158345938) is 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine.
What is the SMILES notation for 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine?
The canonical SMILES for 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine is Clc1ccc(I)cn1.Clc1ccc(Sc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine?
The InChIKey is GRSSOCYLDVVZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNS.C5H3ClIN/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10;6-5-2-1-4(7)3-8-5/h1-7H;1-3H.
What are the key properties of 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine?
5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine has a molecular weight of 540.05 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfanyl-2-chloropyridine;2-chloro-5-iodopyridine is sourced from PubChem (CID 158345938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).