2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide

C13H12ClN3O2 — CID 43364411

IUPAC2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(Cl)c(Oc2ncccc2/C(N)=N/O)c1
InChIInChI=1S/C13H12ClN3O2/c1-8-4-5-10(14)11(7-8)19-13-9(12(15)17-18)3-2-6-16-13/h2-7,18H,1H3,(H2,15,17)
InChIKeyHKYREZJZDGVALG-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide

2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43364411) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID43364411
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(Cl)c(Oc2ncccc2/C(N)=N/O)c1
InChIInChI=1S/C13H12ClN3O2/c1-8-4-5-10(14)11(7-8)19-13-9(12(15)17-18)3-2-6-16-13/h2-7,18H,1H3,(H2,15,17)
InChIKeyHKYREZJZDGVALG-UHFFFAOYSA-N
XLogP2.93
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.93
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-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 43108551
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
2-(4-bromo-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 83140941
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 76935799
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
3-(2-chloro-5-methylphenoxy)pyrazine-2-carboximidamide
CID 62685074
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
2-(2-chloro-4-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004117

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide (CID 43364411) is 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide is Cc1ccc(Cl)c(Oc2ncccc2/C(N)=N/O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is HKYREZJZDGVALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-4-5-10(14)11(7-8)19-13-9(12(15)17-18)3-2-6-16-13/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 277.71 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43364411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).