3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid

C11H10N4O4S — CID 175595182

IUPAC3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid
SMILESCc1ccc(Sc2cnccc2C(=O)O)nn1.O=NO
InChIInChI=1S/C11H9N3O2S.HNO2/c1-7-2-3-10(14-13-7)17-9-6-12-5-4-8(9)11(15)16;2-1-3/h2-6H,1H3,(H,15,16);(H,2,3)
InChIKeyWJSMOXGEIDVNRK-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.17
Rot. Bonds3

About 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid

3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid (PubChem CID 175595182) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid
PubChem CID175595182
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid
SMILESCc1ccc(Sc2cnccc2C(=O)O)nn1.O=NO
InChIInChI=1S/C11H9N3O2S.HNO2/c1-7-2-3-10(14-13-7)17-9-6-12-5-4-8(9)11(15)16;2-1-3/h2-6H,1H3,(H,15,16);(H,2,3)
InChIKeyWJSMOXGEIDVNRK-UHFFFAOYSA-N
XLogP2.17
TPSA125.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid?
The IUPAC name of 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid (CID 175595182) is 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid is Cc1ccc(Sc2cnccc2C(=O)O)nn1.O=NO.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid?
The InChIKey is WJSMOXGEIDVNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S.HNO2/c1-7-2-3-10(14-13-7)17-9-6-12-5-4-8(9)11(15)16;2-1-3/h2-6H,1H3,(H,15,16);(H,2,3).
What are the key properties of 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid?
3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid has a molecular weight of 294.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)sulfanylpyridine-4-carboxylic acid;nitrous acid is sourced from PubChem (CID 175595182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).