O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine

C6H4FIN2O3 — CID 79427039

IUPACO-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine
SMILESNOc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4FIN2O3/c7-3-1-6(13-9)5(10(11)12)2-4(3)8/h1-2H,9H2
InChIKeyIXURHOCMEQEWOC-UHFFFAOYSA-N
MW298.01 g/mol
LogP1.59
Rot. Bonds2

About O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine

O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine (PubChem CID 79427039) has the molecular formula C6H4FIN2O3 and a molecular weight of 298.01 g/mol. Its IUPAC name is O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine
PubChem CID79427039
Molecular FormulaC6H4FIN2O3
Molecular Weight298.01 g/mol
Exact Mass297.93
IUPAC NameO-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine
SMILESNOc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4FIN2O3/c7-3-1-6(13-9)5(10(11)12)2-4(3)8/h1-2H,9H2
InChIKeyIXURHOCMEQEWOC-UHFFFAOYSA-N
XLogP1.59
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.01
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
CID 162421806
4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol
CID 66100481
1-(2-bromo-4-fluorophenoxy)-5-fluoro-4-iodo-2-nitrobenzene
CID 66086759
4-(5-fluoro-4-iodo-2-nitrophenoxy)benzoic acid
CID 66102449
5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline
CID 130557612
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
1-[3-(5-fluoro-4-iodo-2-nitrophenoxy)cyclobutyl]-N-methylmethanamine
CID 66100307
2-[(5-fluoro-4-iodo-2-nitrophenoxy)methyl]pyrrolidine
CID 66099909
N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66086750
5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
CID 66100227
1-(2-bromopropyl)-5-fluoro-4-iodo-2-nitrobenzene
CID 66100124

Frequently Asked Questions

What is the IUPAC name of O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine?
The IUPAC name of O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine (CID 79427039) is O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine.
What is the SMILES notation for O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine?
The canonical SMILES for O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine is NOc1cc(F)c(I)cc1[N+](=O)[O-].
What is the InChIKey of O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine?
The InChIKey is IXURHOCMEQEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FIN2O3/c7-3-1-6(13-9)5(10(11)12)2-4(3)8/h1-2H,9H2.
What are the key properties of O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine?
O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine has a molecular weight of 298.01 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine is sourced from PubChem (CID 79427039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).