1-(aminodiazenyl)-4-(iodomethyl)benzene

C7H8IN3 — CID 121353607

IUPAC1-(aminodiazenyl)-4-(iodomethyl)benzene
SMILESN/N=N/c1ccc(CI)cc1
InChIInChI=1S/C7H8IN3/c8-5-6-1-3-7(4-2-6)10-11-9/h1-4H,5H2,(H2,9,10)
InChIKeyVXUJOLGKNWIHHI-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.58
Rot. Bonds2

About 1-(aminodiazenyl)-4-(iodomethyl)benzene

1-(aminodiazenyl)-4-(iodomethyl)benzene (PubChem CID 121353607) has the molecular formula C7H8IN3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 1-(aminodiazenyl)-4-(iodomethyl)benzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-4-(iodomethyl)benzene
PubChem CID121353607
Molecular FormulaC7H8IN3
Molecular Weight261.07 g/mol
Exact Mass260.98
IUPAC Name1-(aminodiazenyl)-4-(iodomethyl)benzene
SMILESN/N=N/c1ccc(CI)cc1
InChIInChI=1S/C7H8IN3/c8-5-6-1-3-7(4-2-6)10-11-9/h1-4H,5H2,(H2,9,10)
InChIKeyVXUJOLGKNWIHHI-UHFFFAOYSA-N
XLogP2.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(aminodiazenyl)-4-[[4-(aminodiazenyl)phenyl]methyl]benzene
CID 118629334
4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline
CID 122546962
4-(iodomethyl)phenol
CID 11241787
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
1-(aminodiazenyl)-4-propan-2-yloxybenzene
CID 129114930
4-[[(4-aminophenyl)diazenyl]methyl]aniline
CID 129142079
1-(iodomethyl)-4-(3-iodopropyl)benzene
CID 133059698
1-(iodomethyl)-4-propan-2-ylbenzene
CID 21326811
sodium;hydride;iodomethylbenzene
CID 173496893
N'-amino-N-(4-hexylphenyl)iminomethanimidamide
CID 91313473
bis(4-iodophenyl)diazene
CID 3544718
2-chloro-5-(iodomethyl)pyridine
CID 11149463

Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)-4-(iodomethyl)benzene?
The IUPAC name of 1-(aminodiazenyl)-4-(iodomethyl)benzene (CID 121353607) is 1-(aminodiazenyl)-4-(iodomethyl)benzene.
What is the SMILES notation for 1-(aminodiazenyl)-4-(iodomethyl)benzene?
The canonical SMILES for 1-(aminodiazenyl)-4-(iodomethyl)benzene is N/N=N/c1ccc(CI)cc1.
What is the InChIKey of 1-(aminodiazenyl)-4-(iodomethyl)benzene?
The InChIKey is VXUJOLGKNWIHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3/c8-5-6-1-3-7(4-2-6)10-11-9/h1-4H,5H2,(H2,9,10).
What are the key properties of 1-(aminodiazenyl)-4-(iodomethyl)benzene?
1-(aminodiazenyl)-4-(iodomethyl)benzene has a molecular weight of 261.07 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-4-(iodomethyl)benzene is sourced from PubChem (CID 121353607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).