3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide

C12H8BrClFN3O2 — CID 136730862

IUPAC3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1Oc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C12H8BrClFN3O2/c13-7-3-8(14)9(15)4-10(7)20-11-5-17-2-1-6(11)12(16)18-19/h1-5,19H,(H2,16,18)
InChIKeyIRJQVFYGJNAOAM-UHFFFAOYSA-N
MW360.57 g/mol
LogP3.52
Rot. Bonds3

About 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide

3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136730862) has the molecular formula C12H8BrClFN3O2 and a molecular weight of 360.57 g/mol. Its IUPAC name is 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide
PubChem CID136730862
Molecular FormulaC12H8BrClFN3O2
Molecular Weight360.57 g/mol
Exact Mass358.95
IUPAC Name3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1Oc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C12H8BrClFN3O2/c13-7-3-8(14)9(15)4-10(7)20-11-5-17-2-1-6(11)12(16)18-19/h1-5,19H,(H2,16,18)
InChIKeyIRJQVFYGJNAOAM-UHFFFAOYSA-N
XLogP3.52
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.52
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
5-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730865
3-(5-bromo-2-fluorophenoxy)pyridine-4-carbothioamide
CID 114672471
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol
CID 114042755
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
3-(2-bromo-4-chloro-5-fluorophenoxy)pyridine-2-carbonitrile
CID 114042653
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide (CID 136730862) is 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccncc1Oc1cc(F)c(Cl)cc1Br.
What is the InChIKey of 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is IRJQVFYGJNAOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN3O2/c13-7-3-8(14)9(15)4-10(7)20-11-5-17-2-1-6(11)12(16)18-19/h1-5,19H,(H2,16,18).
What are the key properties of 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide?
3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 360.57 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136730862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).