N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide

C11H11N3O2S — CID 135995700

IUPACN'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
SMILESNC(=NO)c1ccnc(OCc2cccs2)c1
InChIInChI=1S/C11H11N3O2S/c12-11(14-15)8-3-4-13-10(6-8)16-7-9-2-1-5-17-9/h1-6,15H,7H2,(H2,12,14)
InChIKeyJGOPPJGHRPRBAB-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.82
Rot. Bonds4

About N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide

N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide (PubChem CID 135995700) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
PubChem CID135995700
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
SMILESNC(=NO)c1ccnc(OCc2cccs2)c1
InChIInChI=1S/C11H11N3O2S/c12-11(14-15)8-3-4-13-10(6-8)16-7-9-2-1-5-17-9/h1-6,15H,7H2,(H2,12,14)
InChIKeyJGOPPJGHRPRBAB-UHFFFAOYSA-N
XLogP1.82
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.82
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-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide (CID 135995700) is N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide is NC(=NO)c1ccnc(OCc2cccs2)c1.
What is the InChIKey of N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
The InChIKey is JGOPPJGHRPRBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-11(14-15)8-3-4-13-10(6-8)16-7-9-2-1-5-17-9/h1-6,15H,7H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide?
N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide has a molecular weight of 249.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 135995700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).