2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide

C12H9BrClN3O2 — CID 136739624

IUPAC2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2cccc(Br)c2)c1Cl
InChIInChI=1S/C12H9BrClN3O2/c13-7-2-1-3-8(6-7)19-12-10(14)9(4-5-16-12)11(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyZXZVWLUITNWAOI-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.38
Rot. Bonds3

About 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide

2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739624) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739624
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC Name2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Oc2cccc(Br)c2)c1Cl
InChIInChI=1S/C12H9BrClN3O2/c13-7-2-1-3-8(6-7)19-12-10(14)9(4-5-16-12)11(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyZXZVWLUITNWAOI-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

2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
CID 107058844
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
CID 136739765
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide (CID 136739624) is 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccnc(Oc2cccc(Br)c2)c1Cl.
What is the InChIKey of 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is ZXZVWLUITNWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c13-7-2-1-3-8(6-7)19-12-10(14)9(4-5-16-12)11(15)17-18/h1-6,18H,(H2,15,17).
What are the key properties of 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide?
2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-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 2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).