2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide

C7H5F2N3O3 — CID 79755848

IUPAC2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESNC(=NO)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H5F2N3O3/c8-3-1-2-4(12(14)15)6(9)5(3)7(10)11-13/h1-2,13H,(H2,10,11)
InChIKeyFRCBCTFNPHCCFB-UHFFFAOYSA-N
MW217.13 g/mol
LogP0.97
Rot. Bonds2

About 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide

2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 79755848) has the molecular formula C7H5F2N3O3 and a molecular weight of 217.13 g/mol. Its IUPAC name is 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID79755848
Molecular FormulaC7H5F2N3O3
Molecular Weight217.13 g/mol
Exact Mass217.03
IUPAC Name2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESNC(=NO)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H5F2N3O3/c8-3-1-2-4(12(14)15)6(9)5(3)7(10)11-13/h1-2,13H,(H2,10,11)
InChIKeyFRCBCTFNPHCCFB-UHFFFAOYSA-N
XLogP0.97
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.13
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
CID 79768181
2,6-difluoro-3-nitrobenzamide
CID 2780101
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
1-(2,6-difluoro-3-nitrophenyl)ethanimine
CID 118580071
2,6-difluoro-3-nitrobenzoyl isocyanate
CID 23038946
N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
CID 103740689
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2,6-difluoro-3-nitrobenzamide
CID 106096207
2-(4-bromophenyl)-1-(2,6-difluoro-3-nitrophenyl)ethanone
CID 79757958
1-(2,6-difluoro-3-nitrophenyl)-2-methylsulfanylethanone
CID 79773473
N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
CID 124679312
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,6-difluoro-3-nitrobenzamide
CID 103740040

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide (CID 79755848) is 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide is NC(=NO)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is FRCBCTFNPHCCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O3/c8-3-1-2-4(12(14)15)6(9)5(3)7(10)11-13/h1-2,13H,(H2,10,11).
What are the key properties of 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide?
2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 217.13 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 79755848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).