6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide

C12H9BrN4O4 — CID 103470626

IUPAC6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Oc2ccccc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9BrN4O4/c13-8-3-1-2-4-10(8)21-12-9(17(19)20)5-7(6-15-12)11(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyIJRWXLICIOTKLM-UHFFFAOYSA-N
MW353.13 g/mol
LogP2.64
Rot. Bonds4

About 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide

6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103470626) has the molecular formula C12H9BrN4O4 and a molecular weight of 353.13 g/mol. Its IUPAC name is 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103470626
Molecular FormulaC12H9BrN4O4
Molecular Weight353.13 g/mol
Exact Mass351.98
IUPAC Name6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Oc2ccccc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9BrN4O4/c13-8-3-1-2-4-10(8)21-12-9(17(19)20)5-7(6-15-12)11(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyIJRWXLICIOTKLM-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'}

Analyze 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
N'-hydroxy-4-(2-methylphenoxy)-3-nitrobenzenecarboximidamide
CID 76935049
6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103488543
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
CID 73050036
N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
CID 103471011
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
CID 20610463
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103470626) is 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide is N/C(=N/O)c1cnc(Oc2ccccc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is IJRWXLICIOTKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O4/c13-8-3-1-2-4-10(8)21-12-9(17(19)20)5-7(6-15-12)11(14)16-18/h1-6,18H,(H2,14,16).
What are the key properties of 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-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 6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).