4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide

C12H9BrFN3O2 — CID 167646824

IUPAC4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ncc(Br)cc2F)cc1
InChIInChI=1S/C12H9BrFN3O2/c13-8-5-10(14)12(16-6-8)19-9-3-1-7(2-4-9)11(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyLDNHZXRURSFUIK-UHFFFAOYSA-N
MW326.13 g/mol
LogP2.87
Rot. Bonds3

About 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide

4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 167646824) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
PubChem CID167646824
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ncc(Br)cc2F)cc1
InChIInChI=1S/C12H9BrFN3O2/c13-8-5-10(14)12(16-6-8)19-9-3-1-7(2-4-9)11(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyLDNHZXRURSFUIK-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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Related Compounds

2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 103582321
4-[(5-bromo-3-pyridinyl)oxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77022595
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
CID 114047343
4-[3-amino-5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]-N'-hydroxybenzenecarboximidamide
CID 87574257
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
[1-[3-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]-3-oxopropan-2-yl] carbamate
CID 175499026
4-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43621964

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide (CID 167646824) is 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Oc2ncc(Br)cc2F)cc1.
What is the InChIKey of 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LDNHZXRURSFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-8-5-10(14)12(16-6-8)19-9-3-1-7(2-4-9)11(15)17-18/h1-6,18H,(H2,15,17).
What are the key properties of 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide?
4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide 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 4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 167646824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).