N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide

C12H11N5O4 — CID 136890293

IUPACN'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)cn1
InChIInChI=1S/C12H11N5O4/c1-7-2-3-8(6-14-7)21-10-5-4-9(17(19)20)11(15-10)12(13)16-18/h2-6,18H,1H3,(H2,13,16)
InChIKeyLSOOPVAHPXDQBM-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.58
Rot. Bonds4

About N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide

N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide (PubChem CID 136890293) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide
PubChem CID136890293
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC NameN'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)cn1
InChIInChI=1S/C12H11N5O4/c1-7-2-3-8(6-14-7)21-10-5-4-9(17(19)20)11(15-10)12(13)16-18/h2-6,18H,1H3,(H2,13,16)
InChIKeyLSOOPVAHPXDQBM-UHFFFAOYSA-N
XLogP1.58
TPSA136.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.58
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-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide (CID 136890293) is N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide is Cc1ccc(Oc2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)cn1.
What is the InChIKey of N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide?
The InChIKey is LSOOPVAHPXDQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-7-2-3-8(6-14-7)21-10-5-4-9(17(19)20)11(15-10)12(13)16-18/h2-6,18H,1H3,(H2,13,16).
What are the key properties of N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide?
N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide has a molecular weight of 289.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136890293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).