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

C7H3BrIN3S — CID 131092059

IUPAC3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole
SMILESBrc1cnccc1-c1nsc(I)n1
InChIInChI=1S/C7H3BrIN3S/c8-5-3-10-2-1-4(5)6-11-7(9)13-12-6/h1-3H
InChIKeyGHHPBYKLKMLEAM-UHFFFAOYSA-N
MW368.00 g/mol
LogP2.97
Rot. Bonds1

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

3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 131092059) has the molecular formula C7H3BrIN3S and a molecular weight of 368.00 g/mol. Its IUPAC name is 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole
PubChem CID131092059
Molecular FormulaC7H3BrIN3S
Molecular Weight368.00 g/mol
Exact Mass366.83
IUPAC Name3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole
SMILESBrc1cnccc1-c1nsc(I)n1
InChIInChI=1S/C7H3BrIN3S/c8-5-3-10-2-1-4(5)6-11-7(9)13-12-6/h1-3H
InChIKeyGHHPBYKLKMLEAM-UHFFFAOYSA-N
XLogP2.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.00
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole (CID 131092059) is 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole is Brc1cnccc1-c1nsc(I)n1.
What is the InChIKey of 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is GHHPBYKLKMLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrIN3S/c8-5-3-10-2-1-4(5)6-11-7(9)13-12-6/h1-3H.
What are the key properties of 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole?
3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 368.00 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 131092059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).