6-(3-methylphenoxy)pyridine-3-carboximidamide

C13H13N3O — CID 24705712

IUPAC6-(3-methylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(C)c2)nc1
InChIInChI=1S/C13H13N3O/c1-9-3-2-4-11(7-9)17-12-6-5-10(8-16-12)13(14)15/h2-8H,1H3,(H3,14,15)
InChIKeyAFEKLKUUDAJWHE-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.47
Rot. Bonds3

About 6-(3-methylphenoxy)pyridine-3-carboximidamide

6-(3-methylphenoxy)pyridine-3-carboximidamide (PubChem CID 24705712) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-(3-methylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3-methylphenoxy)pyridine-3-carboximidamide
PubChem CID24705712
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name6-(3-methylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(C)c2)nc1
InChIInChI=1S/C13H13N3O/c1-9-3-2-4-11(7-9)17-12-6-5-10(8-16-12)13(14)15/h2-8H,1H3,(H3,14,15)
InChIKeyAFEKLKUUDAJWHE-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

6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 43150626
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
CID 43352096
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(3-methylphenoxy)pyridine-3-carboximidamide (CID 24705712) is 6-(3-methylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(3-methylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(3-methylphenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(C)c2)nc1.
What is the InChIKey of 6-(3-methylphenoxy)pyridine-3-carboximidamide?
The InChIKey is AFEKLKUUDAJWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-3-2-4-11(7-9)17-12-6-5-10(8-16-12)13(14)15/h2-8H,1H3,(H3,14,15).
What are the key properties of 6-(3-methylphenoxy)pyridine-3-carboximidamide?
6-(3-methylphenoxy)pyridine-3-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 6-(3-methylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 24705712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).