5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide

C13H12FN3O2 — CID 136744770

IUPAC5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCc1ccc(F)cc1Oc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C13H12FN3O2/c1-8-2-3-9(14)6-12(8)19-10-4-5-11(16-7-10)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeyZJKPPJUTJHHBII-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.42
Rot. Bonds3

About 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide

5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136744770) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136744770
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCc1ccc(F)cc1Oc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C13H12FN3O2/c1-8-2-3-9(14)6-12(8)19-10-4-5-11(16-7-10)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeyZJKPPJUTJHHBII-UHFFFAOYSA-N
XLogP2.42
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide
CID 136967358
5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990918
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
5-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730865
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990811
N'-hydroxy-3-methyl-4-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 55031079
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
5-bromo-2-(5-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 102981960
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
5-(2-bromo-4-fluorophenoxy)pyridine-2-carbothioamide
CID 113321022
4-(2-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 135965068

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136744770) is 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide is Cc1ccc(F)cc1Oc1ccc(/C(N)=N/O)nc1.
What is the InChIKey of 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is ZJKPPJUTJHHBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-8-2-3-9(14)6-12(8)19-10-4-5-11(16-7-10)13(15)17-18/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 261.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136744770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).