2-sulfinyl-1H-pyridine-3-carboxamide

C6H6N2O2S — CID 22574509

IUPAC2-sulfinyl-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc[nH]c1=S=O
InChIInChI=1S/C6H6N2O2S/c7-5(9)4-2-1-3-8-6(4)11-10/h1-3,8H,(H2,7,9)
InChIKeyQLCDZGXKAHWVFG-UHFFFAOYSA-N
MW170.19 g/mol
LogP-0.14
Rot. Bonds1

About 2-sulfinyl-1H-pyridine-3-carboxamide

2-sulfinyl-1H-pyridine-3-carboxamide (PubChem CID 22574509) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-sulfinyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-sulfinyl-1H-pyridine-3-carboxamide
PubChem CID22574509
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name2-sulfinyl-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc[nH]c1=S=O
InChIInChI=1S/C6H6N2O2S/c7-5(9)4-2-1-3-8-6(4)11-10/h1-3,8H,(H2,7,9)
InChIKeyQLCDZGXKAHWVFG-UHFFFAOYSA-N
XLogP-0.14
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfinyl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-sulfinyl-1H-pyridine-3-carboxamide (CID 22574509) is 2-sulfinyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-sulfinyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-sulfinyl-1H-pyridine-3-carboxamide is NC(=O)c1ccc[nH]c1=S=O.
What is the InChIKey of 2-sulfinyl-1H-pyridine-3-carboxamide?
The InChIKey is QLCDZGXKAHWVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c7-5(9)4-2-1-3-8-6(4)11-10/h1-3,8H,(H2,7,9).
What are the key properties of 2-sulfinyl-1H-pyridine-3-carboxamide?
2-sulfinyl-1H-pyridine-3-carboxamide has a molecular weight of 170.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 22574509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).