5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide

C12H9BrFN3O2 — CID 136990918

IUPAC5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C12H9BrFN3O2/c13-7-3-8(14)5-10(4-7)19-9-1-2-11(16-6-9)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyYZYXUBCEANMQOV-UHFFFAOYSA-N
MW326.13 g/mol
LogP2.87
Rot. Bonds3

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

5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990918) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990918
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C12H9BrFN3O2/c13-7-3-8(14)5-10(4-7)19-9-1-2-11(16-6-9)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyYZYXUBCEANMQOV-UHFFFAOYSA-N
XLogP2.87
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136990918) is 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ccc(Oc2cc(F)cc(Br)c2)cn1.
What is the InChIKey of 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is YZYXUBCEANMQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-7-3-8(14)5-10(4-7)19-9-1-2-11(16-6-9)12(15)17-18/h1-6,18H,(H2,15,17).
What are the key properties of 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide?
5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 326.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).