4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C14H13F2N3O2 — CID 81036289

IUPAC4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(Oc2ccc(F)cc2F)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H13F2N3O2/c1-7-5-12(13(8(2)18-7)14(17)19-20)21-11-4-3-9(15)6-10(11)16/h3-6,20H,1-2H3,(H2,17,19)
InChIKeyKAIWHUMEBUOFFZ-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.86
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81036289) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81036289
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(Oc2ccc(F)cc2F)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H13F2N3O2/c1-7-5-12(13(8(2)18-7)14(17)19-20)21-11-4-3-9(15)6-10(11)16/h3-6,20H,1-2H3,(H2,17,19)
InChIKeyKAIWHUMEBUOFFZ-UHFFFAOYSA-N
XLogP2.86
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.86
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-4-(2-methoxyphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81035865
4-(4-chloro-3-fluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 82718060
N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036684
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054592
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848
N'-hydroxy-4-(2-hydroxyethoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054803
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
4-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 114341143
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81036289) is 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(Oc2ccc(F)cc2F)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is KAIWHUMEBUOFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-7-5-12(13(8(2)18-7)14(17)19-20)21-11-4-3-9(15)6-10(11)16/h3-6,20H,1-2H3,(H2,17,19).
What are the key properties of 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 293.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81036289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).