3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide

C12H10ClN3O2S — CID 172625617

IUPAC3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide
SMILESNC(=NO)c1ncc(Cl)cc1S(=O)c1ccccc1
InChIInChI=1S/C12H10ClN3O2S/c13-8-6-10(11(15-7-8)12(14)16-17)19(18)9-4-2-1-3-5-9/h1-7,17H,(H2,14,16)
InChIKeyBJCIULHOIVRJOV-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.00
Rot. Bonds3

About 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide

3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide (PubChem CID 172625617) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide
PubChem CID172625617
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide
SMILESNC(=NO)c1ncc(Cl)cc1S(=O)c1ccccc1
InChIInChI=1S/C12H10ClN3O2S/c13-8-6-10(11(15-7-8)12(14)16-17)19(18)9-4-2-1-3-5-9/h1-7,17H,(H2,14,16)
InChIKeyBJCIULHOIVRJOV-UHFFFAOYSA-N
XLogP2.00
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide (CID 172625617) is 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide is NC(=NO)c1ncc(Cl)cc1S(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is BJCIULHOIVRJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-8-6-10(11(15-7-8)12(14)16-17)19(18)9-4-2-1-3-5-9/h1-7,17H,(H2,14,16).
What are the key properties of 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide?
3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 295.75 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 172625617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).