N-iodo-4-[(4-nitrophenyl)diazenyl]aniline

C12H9IN4O2 — CID 145350386

IUPACN-iodo-4-[(4-nitrophenyl)diazenyl]aniline
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(NI)cc2)cc1
InChIInChI=1S/C12H9IN4O2/c13-14-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)17(18)19/h1-8,14H/b16-15+
InChIKeyZIOCXMRMFNDYTJ-FOCLMDBBSA-N
MW368.13 g/mol
LogP4.77
Rot. Bonds4

About N-iodo-4-[(4-nitrophenyl)diazenyl]aniline

N-iodo-4-[(4-nitrophenyl)diazenyl]aniline (PubChem CID 145350386) has the molecular formula C12H9IN4O2 and a molecular weight of 368.13 g/mol. Its IUPAC name is N-iodo-4-[(4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-iodo-4-[(4-nitrophenyl)diazenyl]aniline
PubChem CID145350386
Molecular FormulaC12H9IN4O2
Molecular Weight368.13 g/mol
Exact Mass367.98
IUPAC NameN-iodo-4-[(4-nitrophenyl)diazenyl]aniline
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(NI)cc2)cc1
InChIInChI=1S/C12H9IN4O2/c13-14-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)17(18)19/h1-8,14H/b16-15+
InChIKeyZIOCXMRMFNDYTJ-FOCLMDBBSA-N
XLogP4.77
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.13
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl)-phenyldiazene
CID 17222
1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide
CID 58743491
methyl-(4-nitrophenyl)diazene
CID 20760343
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 19819208
1-nitro-4-nitrosobenzene
CID 643547
N-bromo-4-nitroaniline
CID 54285277
4-[(4-nitrophenyl)diazenyl]-N-(6-pyridin-1-ium-1-ylhexyl)aniline
CID 157242607
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1-phenoxy-1-phenylhydrazine
CID 91271112
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996

Frequently Asked Questions

What is the IUPAC name of N-iodo-4-[(4-nitrophenyl)diazenyl]aniline?
The IUPAC name of N-iodo-4-[(4-nitrophenyl)diazenyl]aniline (CID 145350386) is N-iodo-4-[(4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for N-iodo-4-[(4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for N-iodo-4-[(4-nitrophenyl)diazenyl]aniline is O=[N+]([O-])c1ccc(/N=N/c2ccc(NI)cc2)cc1.
What is the InChIKey of N-iodo-4-[(4-nitrophenyl)diazenyl]aniline?
The InChIKey is ZIOCXMRMFNDYTJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H9IN4O2/c13-14-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)17(18)19/h1-8,14H/b16-15+.
What are the key properties of N-iodo-4-[(4-nitrophenyl)diazenyl]aniline?
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline has a molecular weight of 368.13 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-[(4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 145350386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).