4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide

C12H9BrN4O4 — CID 136805278

IUPAC4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(Oc2cc([N+](=O)[O-])ccc2Br)ccn1
InChIInChI=1S/C12H9BrN4O4/c13-9-2-1-7(17(19)20)5-11(9)21-8-3-4-15-10(6-8)12(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyVWFRTHFRWXVMCW-UHFFFAOYSA-N
MW353.13 g/mol
LogP2.64
Rot. Bonds4

About 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide

4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136805278) has the molecular formula C12H9BrN4O4 and a molecular weight of 353.13 g/mol. Its IUPAC name is 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136805278
Molecular FormulaC12H9BrN4O4
Molecular Weight353.13 g/mol
Exact Mass351.98
IUPAC Name4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(Oc2cc([N+](=O)[O-])ccc2Br)ccn1
InChIInChI=1S/C12H9BrN4O4/c13-9-2-1-7(17(19)20)5-11(9)21-8-3-4-15-10(6-8)12(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyVWFRTHFRWXVMCW-UHFFFAOYSA-N
XLogP2.64
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
4-(2-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 135965068
N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
CID 136990849
4-(5-amino-2-bromophenoxy)pyridine-2-carboxamide
CID 103011692
2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
5-(2-bromo-5-nitrophenoxy)pyrazine-2-carboxylic acid
CID 103012898
5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114892757
2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole
CID 103009895
3-(2-bromo-5-nitrophenoxy)pyrazine-2-carbonitrile
CID 103010082
2-[1-[(2-bromo-5-nitrophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 103010344
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470626
2-(2-bromo-5-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 103010086

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136805278) is 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(Oc2cc([N+](=O)[O-])ccc2Br)ccn1.
What is the InChIKey of 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is VWFRTHFRWXVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O4/c13-9-2-1-7(17(19)20)5-11(9)21-8-3-4-15-10(6-8)12(14)16-18/h1-6,18H,(H2,14,16).
What are the key properties of 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 353.13 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136805278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).