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

C13H13N3O3 — CID 24711030

IUPACN'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccccc1Oc1ncccc1/C(N)=N/O
InChIInChI=1S/C13H13N3O3/c1-18-10-6-2-3-7-11(10)19-13-9(12(14)16-17)5-4-8-15-13/h2-8,17H,1H3,(H2,14,16)
InChIKeyINNRLYWPQKFDDR-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.98
Rot. Bonds4

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

N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide (PubChem CID 24711030) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
PubChem CID24711030
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccccc1Oc1ncccc1/C(N)=N/O
InChIInChI=1S/C13H13N3O3/c1-18-10-6-2-3-7-11(10)19-13-9(12(14)16-17)5-4-8-15-13/h2-8,17H,1H3,(H2,14,16)
InChIKeyINNRLYWPQKFDDR-UHFFFAOYSA-N
XLogP1.98
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(2-methoxyphenoxy)pyridine-3-carbothioamide
CID 24702703
N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 43108551
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364411
(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
CID 56669742
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
N'-amino-2-methoxypyridine-3-carboximidamide
CID 76975295
N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
2-(4-bromo-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 83140941
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
3-bromo-2-(2-methoxyphenoxy)pyridine
CID 61375067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide (CID 24711030) is N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide is COc1ccccc1Oc1ncccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
The InChIKey is INNRLYWPQKFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-10-6-2-3-7-11(10)19-13-9(12(14)16-17)5-4-8-15-13/h2-8,17H,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide has a molecular weight of 259.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 24711030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).