5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide

C12H9BrClN3O2 — CID 136990811

IUPAC5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C12H9BrClN3O2/c13-7-1-4-11(9(14)5-7)19-8-2-3-10(16-6-8)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyLKCOULCFUSCVSW-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.38
Rot. Bonds3

About 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide

5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990811) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990811
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC Name5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C12H9BrClN3O2/c13-7-1-4-11(9(14)5-7)19-8-2-3-10(16-6-8)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyLKCOULCFUSCVSW-UHFFFAOYSA-N
XLogP3.38
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 53.38
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

5-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730865
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175
5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
CID 115488843
5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990918
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136744770
N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide
CID 136967358
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136990811) is 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ccc(Oc2ccc(Br)cc2Cl)cn1.
What is the InChIKey of 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is LKCOULCFUSCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c13-7-1-4-11(9(14)5-7)19-8-2-3-10(16-6-8)12(15)17-18/h1-6,18H,(H2,15,17).
What are the key properties of 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 342.58 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).