N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide

C10H11F3N4O4 — CID 136890310

IUPACN'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(OCCCC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11F3N4O4/c11-10(12,13)4-1-5-21-7-3-2-6(17(19)20)8(15-7)9(14)16-18/h2-3,18H,1,4-5H2,(H2,14,16)
InChIKeyUDWJHDSVPDCMLD-UHFFFAOYSA-N
MW308.22 g/mol
LogP1.81
Rot. Bonds6

About N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide

N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide (PubChem CID 136890310) has the molecular formula C10H11F3N4O4 and a molecular weight of 308.22 g/mol. Its IUPAC name is N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide
PubChem CID136890310
Molecular FormulaC10H11F3N4O4
Molecular Weight308.22 g/mol
Exact Mass308.07
IUPAC NameN'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(OCCCC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11F3N4O4/c11-10(12,13)4-1-5-21-7-3-2-6(17(19)20)8(15-7)9(14)16-18/h2-3,18H,1,4-5H2,(H2,14,16)
InChIKeyUDWJHDSVPDCMLD-UHFFFAOYSA-N
XLogP1.81
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

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Related Compounds

6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136792814
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136967800
N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide
CID 136890293
N'-hydroxy-6-(2-methoxyethylsulfanyl)-3-nitropyridine-2-carboximidamide
CID 136967804
N'-hydroxy-6-(3-methylcyclohexyl)oxy-3-nitropyridine-2-carboximidamide
CID 136890275
N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
CID 82788948
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768970
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
[3-nitro-4-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 115513068
6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768896

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide (CID 136890310) is N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide is N/C(=N/O)c1nc(OCCCC(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide?
The InChIKey is UDWJHDSVPDCMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O4/c11-10(12,13)4-1-5-21-7-3-2-6(17(19)20)8(15-7)9(14)16-18/h2-3,18H,1,4-5H2,(H2,14,16).
What are the key properties of N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide?
N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide has a molecular weight of 308.22 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 136890310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).