2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide

C9H7BrN6O3 — CID 76935236

IUPAC2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1-n1cc(Br)cn1
InChIInChI=1S/C9H7BrN6O3/c10-5-2-13-15(4-5)9-7(8(11)14-17)1-6(3-12-9)16(18)19/h1-4,17H,(H2,11,14)
InChIKeyVCIPLHHRQIIOTN-UHFFFAOYSA-N
MW327.10 g/mol
LogP1.03
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide

2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 76935236) has the molecular formula C9H7BrN6O3 and a molecular weight of 327.10 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID76935236
Molecular FormulaC9H7BrN6O3
Molecular Weight327.10 g/mol
Exact Mass325.98
IUPAC Name2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1-n1cc(Br)cn1
InChIInChI=1S/C9H7BrN6O3/c10-5-2-13-15(4-5)9-7(8(11)14-17)1-6(3-12-9)16(18)19/h1-4,17H,(H2,11,14)
InChIKeyVCIPLHHRQIIOTN-UHFFFAOYSA-N
XLogP1.03
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-(4-bromopyrazol-1-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 76935236) is 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is NC(=NO)c1cc([N+](=O)[O-])cnc1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is VCIPLHHRQIIOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6O3/c10-5-2-13-15(4-5)9-7(8(11)14-17)1-6(3-12-9)16(18)19/h1-4,17H,(H2,11,14).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 327.10 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 76935236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).