2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

C14H14FN3O2 — CID 107169383

IUPAC2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-8-3-5-10(7-12(8)15)20-14-11(13(16)18-19)6-4-9(2)17-14/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyOCPNZNHXXJEVDL-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 107169383) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID107169383
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-8-3-5-10(7-12(8)15)20-14-11(13(16)18-19)6-4-9(2)17-14/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyOCPNZNHXXJEVDL-UHFFFAOYSA-N
XLogP2.72
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.72
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'}

Analyze 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169391
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
CID 77102488

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 107169383) is 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is OCPNZNHXXJEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-8-3-5-10(7-12(8)15)20-14-11(13(16)18-19)6-4-9(2)17-14/h3-7,19H,1-2H3,(H2,16,18).
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 275.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 107169383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).