N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide

C13H13N3O — CID 2727253

IUPACN-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide
SMILESCc1ccccc1/N=C(\NO)c1cccnc1
InChIInChI=1S/C13H13N3O/c1-10-5-2-3-7-12(10)15-13(16-17)11-6-4-8-14-9-11/h2-9,17H,1H3,(H,15,16)
InChIKeyXESLMLDZBRBXEB-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.45
Rot. Bonds2

About N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide

N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide (PubChem CID 2727253) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide
PubChem CID2727253
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide
SMILESCc1ccccc1/N=C(\NO)c1cccnc1
InChIInChI=1S/C13H13N3O/c1-10-5-2-3-7-12(10)15-13(16-17)11-6-4-8-14-9-11/h2-9,17H,1H3,(H,15,16)
InChIKeyXESLMLDZBRBXEB-UHFFFAOYSA-N
XLogP2.45
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-N'-(2-methylphenyl)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide (CID 2727253) is N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide is Cc1ccccc1/N=C(\NO)c1cccnc1.
What is the InChIKey of N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide?
The InChIKey is XESLMLDZBRBXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-5-2-3-7-12(10)15-13(16-17)11-6-4-8-14-9-11/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide?
N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide has a molecular weight of 227.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 2727253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).