5-(2-methylphenoxy)pyridine-2-carboximidamide

C13H13N3O — CID 113321278

IUPAC5-(2-methylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2C)cn1
InChIInChI=1S/C13H13N3O/c1-9-4-2-3-5-12(9)17-10-6-7-11(13(14)15)16-8-10/h2-8H,1H3,(H3,14,15)
InChIKeyLLSHCAYWQBKCMI-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.47
Rot. Bonds3

About 5-(2-methylphenoxy)pyridine-2-carboximidamide

5-(2-methylphenoxy)pyridine-2-carboximidamide (PubChem CID 113321278) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(2-methylphenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(2-methylphenoxy)pyridine-2-carboximidamide
PubChem CID113321278
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-(2-methylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2C)cn1
InChIInChI=1S/C13H13N3O/c1-9-4-2-3-5-12(9)17-10-6-7-11(13(14)15)16-8-10/h2-8H,1H3,(H3,14,15)
InChIKeyLLSHCAYWQBKCMI-UHFFFAOYSA-N
XLogP2.47
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.47
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'}

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Related Compounds

5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
CID 115489787
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
CID 115489822
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
4-methoxy-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 81303141
5-(4-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 113321289
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562334
5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide
CID 150821261
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenoxy)pyridine-2-carboximidamide?
The IUPAC name of 5-(2-methylphenoxy)pyridine-2-carboximidamide (CID 113321278) is 5-(2-methylphenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(2-methylphenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 5-(2-methylphenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2C)cn1.
What is the InChIKey of 5-(2-methylphenoxy)pyridine-2-carboximidamide?
The InChIKey is LLSHCAYWQBKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-4-2-3-5-12(9)17-10-6-7-11(13(14)15)16-8-10/h2-8H,1H3,(H3,14,15).
What are the key properties of 5-(2-methylphenoxy)pyridine-2-carboximidamide?
5-(2-methylphenoxy)pyridine-2-carboximidamide has a molecular weight of 227.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 113321278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).