4-iodo-N-methyl-N-oxidoaniline

C7H7INO- — CID 163883000

IUPAC4-iodo-N-methyl-N-oxidoaniline
SMILESCN([O-])c1ccc(I)cc1
InChIInChI=1S/C7H7INO/c1-9(10)7-4-2-6(8)3-5-7/h2-5H,1H3/q-1
InChIKeyLOCUKXXHFKGMDA-UHFFFAOYSA-N
MW248.04 g/mol
LogP2.23
Rot. Bonds1

About 4-iodo-N-methyl-N-oxidoaniline

4-iodo-N-methyl-N-oxidoaniline (PubChem CID 163883000) has the molecular formula C7H7INO- and a molecular weight of 248.04 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-oxidoaniline.

Molecular Properties

Compound Name4-iodo-N-methyl-N-oxidoaniline
PubChem CID163883000
Molecular FormulaC7H7INO-
Molecular Weight248.04 g/mol
Exact Mass247.96
IUPAC Name4-iodo-N-methyl-N-oxidoaniline
SMILESCN([O-])c1ccc(I)cc1
InChIInChI=1S/C7H7INO/c1-9(10)7-4-2-6(8)3-5-7/h2-5H,1H3/q-1
InChIKeyLOCUKXXHFKGMDA-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-N-oxidohydroxylamine
CID 58019943
1,3-bis(4-iodophenyl)-1,3-dimethylurea
CID 101347516
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-iodo-N,N-bis(phosphanyl)aniline
CID 169286192
4-[methyl(oxido)amino]benzoyl chloride
CID 163615508
N'-(4-iodophenyl)-N,N'-dimethylacetohydrazide
CID 66998219
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
1-N-methyl-4-N-[4-[4-[4-(4-methylphenoxy)-N-oxidoanilino]phenoxy]phenyl]-1-N,4-N-dioxidobenzene-1,4-diamine
CID 163787963
1,4-diiodobenzene;1,3,5-triiodobenzene
CID 19861513

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-oxidoaniline?
The IUPAC name of 4-iodo-N-methyl-N-oxidoaniline (CID 163883000) is 4-iodo-N-methyl-N-oxidoaniline.
What is the SMILES notation for 4-iodo-N-methyl-N-oxidoaniline?
The canonical SMILES for 4-iodo-N-methyl-N-oxidoaniline is CN([O-])c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-oxidoaniline?
The InChIKey is LOCUKXXHFKGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7INO/c1-9(10)7-4-2-6(8)3-5-7/h2-5H,1H3/q-1.
What are the key properties of 4-iodo-N-methyl-N-oxidoaniline?
4-iodo-N-methyl-N-oxidoaniline has a molecular weight of 248.04 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-oxidoaniline is sourced from PubChem (CID 163883000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).