N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide

C6H6N2O2S — CID 59191098

IUPACN-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NO)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2O2S/c9-5(8-10)4-2-1-3-7-6(4)11/h1-3,10H,(H,7,11)(H,8,9)
InChIKeyYIVHWJFITMCXDD-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.86
Rot. Bonds1

About N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide

N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 59191098) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID59191098
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC NameN-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NO)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2O2S/c9-5(8-10)4-2-1-3-7-6(4)11/h1-3,10H,(H,7,11)(H,8,9)
InChIKeyYIVHWJFITMCXDD-UHFFFAOYSA-N
XLogP0.86
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-hydroxy-2-oxo-1H-pyridine-3-carboxamide
CID 6320121
2-Mercaptonicotinamide
CID 4143093
2-Sulfanylidene-1-(trifluoromethoxy)pyridine-3-carboxamide
CID 140292711
N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502197
2-sulfinyl-1H-pyridine-3-carboxamide
CID 22574509
1-Hydroxy-2-sulfanylidenepyridine-3-carboxamide
CID 54426245
5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 61358815
1-Oxido-1,2-dihydropyridin-1-ium-3-carboxamide
CID 90032858
1-hydroxy-2H-pyridine-3-carboxamide
CID 141166189
N,N-dimethyl-1-oxo-1-(2-sulfanylidene-1H-pyridin-3-yl)methanamine oxide
CID 141227220
ethane;2-sulfanylidene-1H-pyridine-3-carboxamide
CID 143328316

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 59191098) is N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(NO)c1ccc[nH]c1=S.
What is the InChIKey of N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is YIVHWJFITMCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c9-5(8-10)4-2-1-3-7-6(4)11/h1-3,10H,(H,7,11)(H,8,9).
What are the key properties of N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 170.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59191098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).