3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide

C12H8BrF2N3O2 — CID 136860116

IUPAC3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C12H8BrF2N3O2/c13-6-4-7(14)10(15)9(5-6)20-8-2-1-3-17-11(8)12(16)18-19/h1-5,19H,(H2,16,18)
InChIKeyDEHBQCOJJHLYBY-UHFFFAOYSA-N
MW344.12 g/mol
LogP3.01
Rot. Bonds3

About 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide

3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136860116) has the molecular formula C12H8BrF2N3O2 and a molecular weight of 344.12 g/mol. Its IUPAC name is 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136860116
Molecular FormulaC12H8BrF2N3O2
Molecular Weight344.12 g/mol
Exact Mass342.98
IUPAC Name3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C12H8BrF2N3O2/c13-6-4-7(14)10(15)9(5-6)20-8-2-1-3-17-11(8)12(16)18-19/h1-5,19H,(H2,16,18)
InChIKeyDEHBQCOJJHLYBY-UHFFFAOYSA-N
XLogP3.01
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.12
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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

3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730869
3-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136745399
[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 107097306
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136860120
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate
CID 90284883
2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
CID 107099317
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136860116) is 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ncccc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is DEHBQCOJJHLYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3O2/c13-6-4-7(14)10(15)9(5-6)20-8-2-1-3-17-11(8)12(16)18-19/h1-5,19H,(H2,16,18).
What are the key properties of 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 344.12 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136860116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).