2,5-dibromopyridine-3-thiol

C5H3Br2NS — CID 119017434

IUPAC2,5-dibromopyridine-3-thiol
SMILESSc1cc(Br)cnc1Br
InChIInChI=1S/C5H3Br2NS/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
InChIKeyGZDGIXLEDHDPLM-UHFFFAOYSA-N
MW268.96 g/mol
LogP2.90
Rot. Bonds

About 2,5-dibromopyridine-3-thiol

2,5-dibromopyridine-3-thiol (PubChem CID 119017434) has the molecular formula C5H3Br2NS and a molecular weight of 268.96 g/mol. Its IUPAC name is 2,5-dibromopyridine-3-thiol.

Molecular Properties

Compound Name2,5-dibromopyridine-3-thiol
PubChem CID119017434
Molecular FormulaC5H3Br2NS
Molecular Weight268.96 g/mol
Exact Mass266.84
IUPAC Name2,5-dibromopyridine-3-thiol
SMILESSc1cc(Br)cnc1Br
InChIInChI=1S/C5H3Br2NS/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
InChIKeyGZDGIXLEDHDPLM-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.96
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromopyridine-3-thiol?
The IUPAC name of 2,5-dibromopyridine-3-thiol (CID 119017434) is 2,5-dibromopyridine-3-thiol.
What is the SMILES notation for 2,5-dibromopyridine-3-thiol?
The canonical SMILES for 2,5-dibromopyridine-3-thiol is Sc1cc(Br)cnc1Br.
What is the InChIKey of 2,5-dibromopyridine-3-thiol?
The InChIKey is GZDGIXLEDHDPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NS/c6-3-1-4(9)5(7)8-2-3/h1-2,9H.
What are the key properties of 2,5-dibromopyridine-3-thiol?
2,5-dibromopyridine-3-thiol has a molecular weight of 268.96 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromopyridine-3-thiol is sourced from PubChem (CID 119017434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).