N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide

C9H8N6O3 — CID 103470566

IUPACN'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8N6O3/c10-8(13-16)6-3-7(15(17)18)9(12-4-6)14-2-1-11-5-14/h1-5,16H,(H2,10,13)
InChIKeyLXTPXPOCSAOTJZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.27
Rot. Bonds3

About N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide

N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide (PubChem CID 103470566) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
PubChem CID103470566
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC NameN'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8N6O3/c10-8(13-16)6-3-7(15(17)18)9(12-4-6)14-2-1-11-5-14/h1-5,16H,(H2,10,13)
InChIKeyLXTPXPOCSAOTJZ-UHFFFAOYSA-N
XLogP0.27
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.27
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide (CID 103470566) is N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide is N/C(=N/O)c1cnc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide?
The InChIKey is LXTPXPOCSAOTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3/c10-8(13-16)6-3-7(15(17)18)9(12-4-6)14-2-1-11-5-14/h1-5,16H,(H2,10,13).
What are the key properties of N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide?
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide has a molecular weight of 248.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).