1-hydroxy-2-sulfanylidenepyridine-3-carboxamide

C6H6N2O2S — CID 54426245

IUPAC1-hydroxy-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(O)c1=S
InChIInChI=1S/C6H6N2O2S/c7-5(9)4-2-1-3-8(10)6(4)11/h1-3,10H,(H2,7,9)
InChIKeyZOOMCQLZFSQLGV-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.55
Rot. Bonds1

About 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide

1-hydroxy-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 54426245) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-2-sulfanylidenepyridine-3-carboxamide
PubChem CID54426245
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name1-hydroxy-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(O)c1=S
InChIInChI=1S/C6H6N2O2S/c7-5(9)4-2-1-3-8(10)6(4)11/h1-3,10H,(H2,7,9)
InChIKeyZOOMCQLZFSQLGV-UHFFFAOYSA-N
XLogP0.55
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide (CID 54426245) is 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide is NC(=O)c1cccn(O)c1=S.
What is the InChIKey of 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is ZOOMCQLZFSQLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c7-5(9)4-2-1-3-8(10)6(4)11/h1-3,10H,(H2,7,9).
What are the key properties of 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide?
1-hydroxy-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 170.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 54426245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).