N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide

C7H6FN3O3 — CID 23540062

IUPACN'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide
SMILESO=[N+]([O-])c1cc(F)ccc1/N=C/NO
InChIInChI=1S/C7H6FN3O3/c8-5-1-2-6(9-4-10-12)7(3-5)11(13)14/h1-4,12H,(H,9,10)
InChIKeyFTUDZDPOXBMLKM-UHFFFAOYSA-N
MW199.14 g/mol
LogP1.37
Rot. Bonds3

About N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide

N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide (PubChem CID 23540062) has the molecular formula C7H6FN3O3 and a molecular weight of 199.14 g/mol. Its IUPAC name is N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide
PubChem CID23540062
Molecular FormulaC7H6FN3O3
Molecular Weight199.14 g/mol
Exact Mass199.04
IUPAC NameN'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide
SMILESO=[N+]([O-])c1cc(F)ccc1/N=C/NO
InChIInChI=1S/C7H6FN3O3/c8-5-1-2-6(9-4-10-12)7(3-5)11(13)14/h1-4,12H,(H,9,10)
InChIKeyFTUDZDPOXBMLKM-UHFFFAOYSA-N
XLogP1.37
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 51.37
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2-nitrophenyl)imino-methyl-oxo-phenyl-λ6-sulfane
CID 11335376
4-fluoro-1-[(4-fluoro-2-nitrophenyl)disulfanyl]-2-nitrobenzene
CID 13238249
(4-fluoro-2-nitrophenyl)urea
CID 69476086
2-(4-fluoro-2-nitrophenyl)-1,1-dimethylhydrazine
CID 114449270
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
4-fluoro-2-nitrobenzenediazonium
CID 10352853
3-(4-fluoro-N-methyl-2-nitroanilino)propanoic acid
CID 60986759
1-(4-bromobut-1-enyl)-4-fluoro-2-nitrobenzene
CID 170497851
3-(4-fluoro-2-nitroanilino)-3-methylbutanoic acid
CID 64700001
sodium 4-fluoro-2-nitrobenzenesulfinate
CID 114287111
methyl (2S)-2-amino-2-(4-fluoro-2-nitrophenyl)acetate
CID 171206095
N-cyclopropyl-4-fluoro-2-nitrobenzamide
CID 112698911

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide (CID 23540062) is N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide is O=[N+]([O-])c1cc(F)ccc1/N=C/NO.
What is the InChIKey of N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide?
The InChIKey is FTUDZDPOXBMLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O3/c8-5-1-2-6(9-4-10-12)7(3-5)11(13)14/h1-4,12H,(H,9,10).
What are the key properties of N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide?
N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide has a molecular weight of 199.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2-nitrophenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 23540062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).