6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide

C12H9ClFN3O2 — CID 82716185

IUPAC6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C12H9ClFN3O2/c13-9-3-2-8(5-10(9)14)19-11-4-1-7(6-16-11)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyMYJBYVNGGFELCC-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.76
Rot. Bonds3

About 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide

6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 82716185) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID82716185
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C12H9ClFN3O2/c13-9-3-2-8(5-10(9)14)19-11-4-1-7(6-16-11)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyMYJBYVNGGFELCC-UHFFFAOYSA-N
XLogP2.76
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.76
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 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-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

6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
5-bromo-2-(4-chloro-3-fluorophenoxy)pyridine
CID 82716834
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-(4-chloro-3-fluorophenoxy)-5-(chloromethyl)pyridine
CID 82716658
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
CID 43807024
6-(4-bromo-3-fluorophenoxy)pyridine-3-carbothioamide
CID 65203705
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 107658401
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
4-(4-chloro-3-fluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 82718060

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide (CID 82716185) is 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide is N/C(=N/O)c1ccc(Oc2ccc(Cl)c(F)c2)nc1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is MYJBYVNGGFELCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-9-3-2-8(5-10(9)14)19-11-4-1-7(6-16-11)12(15)17-18/h1-6,18H,(H2,15,17).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide?
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 281.67 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 82716185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).