3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole

C12H6Br2N4S — CID 139048756

IUPAC3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole
SMILESBrc1ccc(-c2nsnc2-c2ccc(Br)nc2)cn1
InChIInChI=1S/C12H6Br2N4S/c13-9-3-1-7(5-15-9)11-12(18-19-17-11)8-2-4-10(14)16-6-8/h1-6H
InChIKeyFZLMFEFOKKMTGJ-UHFFFAOYSA-N
MW398.08 g/mol
LogP4.19
Rot. Bonds2

About 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole

3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole (PubChem CID 139048756) has the molecular formula C12H6Br2N4S and a molecular weight of 398.08 g/mol. Its IUPAC name is 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole
PubChem CID139048756
Molecular FormulaC12H6Br2N4S
Molecular Weight398.08 g/mol
Exact Mass395.87
IUPAC Name3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole
SMILESBrc1ccc(-c2nsnc2-c2ccc(Br)nc2)cn1
InChIInChI=1S/C12H6Br2N4S/c13-9-3-1-7(5-15-9)11-12(18-19-17-11)8-2-4-10(14)16-6-8/h1-6H
InChIKeyFZLMFEFOKKMTGJ-UHFFFAOYSA-N
XLogP4.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.08
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-3-pyridinyl)pyrimidine
CID 53486981
2,4,6-tris(6-bromo-3-pyridinyl)pyridine
CID 153292173
2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole
CID 135395201
2-bromo-5-methylselanylpyridine
CID 102215042
2,5-dibromopyridine;ethane
CID 90871570
3-(6-bromo-3-pyridinyl)pentane-1,5-diol
CID 165356587
(6-bromo-3-pyridinyl)methanamine
CID 22450529
(6-bromo-3-pyridinyl)-trimethylgermane
CID 140711702
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
2-[(6-bromo-3-pyridinyl)oxy]ethanol
CID 86643980
4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
CID 132509972
5-(6-bromo-3-pyridinyl)-1H-indole
CID 59145382

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole?
The IUPAC name of 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole (CID 139048756) is 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole?
The canonical SMILES for 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole is Brc1ccc(-c2nsnc2-c2ccc(Br)nc2)cn1.
What is the InChIKey of 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole?
The InChIKey is FZLMFEFOKKMTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N4S/c13-9-3-1-7(5-15-9)11-12(18-19-17-11)8-2-4-10(14)16-6-8/h1-6H.
What are the key properties of 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole?
3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole has a molecular weight of 398.08 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole is sourced from PubChem (CID 139048756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).