6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide

C14H15N3O3 — CID 24690415

IUPAC6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESCCOc1ccccc1Oc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C14H15N3O3/c1-2-19-11-5-3-4-6-12(11)20-13-8-7-10(9-16-13)14(15)17-18/h3-9,18H,2H2,1H3,(H2,15,17)
InChIKeySMIGMDUFUGXOMB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.37
Rot. Bonds5

About 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide

6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 24690415) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID24690415
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESCCOc1ccccc1Oc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C14H15N3O3/c1-2-19-11-5-3-4-6-12(11)20-13-8-7-10(9-16-13)14(15)17-18/h3-9,18H,2H2,1H3,(H2,15,17)
InChIKeySMIGMDUFUGXOMB-UHFFFAOYSA-N
XLogP2.37
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.37
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

6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 107658401
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111051192
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide (CID 24690415) is 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide is CCOc1ccccc1Oc1ccc(/C(N)=N/O)cn1.
What is the InChIKey of 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is SMIGMDUFUGXOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-19-11-5-3-4-6-12(11)20-13-8-7-10(9-16-13)14(15)17-18/h3-9,18H,2H2,1H3,(H2,15,17).
What are the key properties of 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide?
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 273.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 24690415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).