N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide

C12H11N3OS — CID 136990925

IUPACN'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Sc2ccccc2)cn1
InChIInChI=1S/C12H11N3OS/c13-12(15-16)11-7-6-10(8-14-11)17-9-4-2-1-3-5-9/h1-8,16H,(H2,13,15)
InChIKeyXBIYGXZHMCTEGJ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.33
Rot. Bonds3

About N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide

N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide (PubChem CID 136990925) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
PubChem CID136990925
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Sc2ccccc2)cn1
InChIInChI=1S/C12H11N3OS/c13-12(15-16)11-7-6-10(8-14-11)17-9-4-2-1-3-5-9/h1-8,16H,(H2,13,15)
InChIKeyXBIYGXZHMCTEGJ-UHFFFAOYSA-N
XLogP2.33
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.33
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 N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide (CID 136990925) is N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide is N/C(=N/O)c1ccc(Sc2ccccc2)cn1.
What is the InChIKey of N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide?
The InChIKey is XBIYGXZHMCTEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-12(15-16)11-7-6-10(8-14-11)17-9-4-2-1-3-5-9/h1-8,16H,(H2,13,15).
What are the key properties of N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide?
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide has a molecular weight of 245.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 136990925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).