2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine

C10H4BrCl3N2S — CID 102752375

IUPAC2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
SMILESClc1cc(Cl)c(Sc2ncccc2Br)nc1Cl
InChIInChI=1S/C10H4BrCl3N2S/c11-5-2-1-3-15-9(5)17-10-7(13)4-6(12)8(14)16-10/h1-4H
InChIKeyMWZFHJMFSCGVKG-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.35
Rot. Bonds2

About 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine

2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine (PubChem CID 102752375) has the molecular formula C10H4BrCl3N2S and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
PubChem CID102752375
Molecular FormulaC10H4BrCl3N2S
Molecular Weight370.49 g/mol
Exact Mass367.83
IUPAC Name2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
SMILESClc1cc(Cl)c(Sc2ncccc2Br)nc1Cl
InChIInChI=1S/C10H4BrCl3N2S/c11-5-2-1-3-15-9(5)17-10-7(13)4-6(12)8(14)16-10/h1-4H
InChIKeyMWZFHJMFSCGVKG-UHFFFAOYSA-N
XLogP5.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine 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

2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine
CID 102752219
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chloroaniline
CID 115469551
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]propan-2-amine
CID 81160448
2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623517
2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine
CID 102752241
5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine
CID 66320532
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine
CID 81160339
3-bromo-2-chloropyridine
CID 693324
2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
CID 107780767
2-[(3-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-3-amine
CID 66279152
3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine
CID 55208915

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine (CID 102752375) is 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine is Clc1cc(Cl)c(Sc2ncccc2Br)nc1Cl.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine?
The InChIKey is MWZFHJMFSCGVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl3N2S/c11-5-2-1-3-15-9(5)17-10-7(13)4-6(12)8(14)16-10/h1-4H.
What are the key properties of 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine?
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine has a molecular weight of 370.49 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine is sourced from PubChem (CID 102752375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).