N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide

C13H13N3O2S — CID 43187698

IUPACN'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
SMILESCOc1cccc(Sc2ncccc2/C(N)=N/O)c1
InChIInChI=1S/C13H13N3O2S/c1-18-9-4-2-5-10(8-9)19-13-11(12(14)16-17)6-3-7-15-13/h2-8,17H,1H3,(H2,14,16)
InChIKeyRMGQBIPOTOHSCW-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.34
Rot. Bonds4

About N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide

N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide (PubChem CID 43187698) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
PubChem CID43187698
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
SMILESCOc1cccc(Sc2ncccc2/C(N)=N/O)c1
InChIInChI=1S/C13H13N3O2S/c1-18-9-4-2-5-10(8-9)19-13-11(12(14)16-17)6-3-7-15-13/h2-8,17H,1H3,(H2,14,16)
InChIKeyRMGQBIPOTOHSCW-UHFFFAOYSA-N
XLogP2.34
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide (CID 43187698) is N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide is COc1cccc(Sc2ncccc2/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide?
The InChIKey is RMGQBIPOTOHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-9-4-2-5-10(8-9)19-13-11(12(14)16-17)6-3-7-15-13/h2-8,17H,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide?
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide has a molecular weight of 275.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 43187698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).