6-(6-Bromo-pyridin-3-yl)-4H-1-thia-4,5-diaza-cyclopenta[a]pentalen-7-one

HCID 71815166
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Basic information

Standard SMILES
O=C1c2sccc2-c2[nH]nc(-c3ccc(Br)nc3)c21
InChIKey
HTQSXOZHNPXBQT-UHFFFAOYSA-N
Molecular formula
C13H6BrN3OS
Average molar mass
332.18 g/mol

Names & identifiers

Preferred name
6-(6-Bromo-pyridin-3-yl)-4H-1-thia-4,5-diaza-cyclopenta[a]pentalen-7-one
IUPAC
5-(6-bromo-3-pyridinyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-7-one

Names & synonyms

SCHEMBL15312272HTQSXOZHNPXBQT-UHFFFAOYSA-N6-(6-Bromo-pyridin-3-yl)-4H-1-thia-4,5-diaza-cyclopenta[a]pentalen-7-one

Database identifiers

PubChem CID
71815166

Properties

Computed structural properties

XLogP
3
Topological polar surface area
86.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
19

Related reactions

1 records
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Compound notes

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