2-iodo-4-phenyldiazenylaniline

C12H10IN3 — CID 86147627

IUPAC2-iodo-4-phenyldiazenylaniline
SMILESNc1ccc(/N=N/c2ccccc2)cc1I
InChIInChI=1S/C12H10IN3/c13-11-8-10(6-7-12(11)14)16-15-9-4-2-1-3-5-9/h1-8H,14H2/b16-15+
InChIKeyNFNFUKAYXXCEQN-FOCLMDBBSA-N
MW323.14 g/mol
LogP4.29
Rot. Bonds2

About 2-iodo-4-phenyldiazenylaniline

2-iodo-4-phenyldiazenylaniline (PubChem CID 86147627) has the molecular formula C12H10IN3 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-iodo-4-phenyldiazenylaniline.

Molecular Properties

Compound Name2-iodo-4-phenyldiazenylaniline
PubChem CID86147627
Molecular FormulaC12H10IN3
Molecular Weight323.14 g/mol
Exact Mass322.99
IUPAC Name2-iodo-4-phenyldiazenylaniline
SMILESNc1ccc(/N=N/c2ccccc2)cc1I
InChIInChI=1S/C12H10IN3/c13-11-8-10(6-7-12(11)14)16-15-9-4-2-1-3-5-9/h1-8H,14H2/b16-15+
InChIKeyNFNFUKAYXXCEQN-FOCLMDBBSA-N
XLogP4.29
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
2-methylaniline;2-methylbenzene-1,4-diamine;2-methyl-4-phenyldiazenylaniline
CID 159282713
diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
4-phenyldiazenylbenzene-1,2,3,5-tetramine
CID 175027546
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
diphenyldiazene;oxalonitrile
CID 174439181
3-phenyldiazenylnaphthalen-1-amine
CID 156686979
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
4-(2-amino-1-phenylethyl)-2-iodoaniline
CID 21125810
diphenyldiazene;urea
CID 175083568

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-phenyldiazenylaniline?
The IUPAC name of 2-iodo-4-phenyldiazenylaniline (CID 86147627) is 2-iodo-4-phenyldiazenylaniline.
What is the SMILES notation for 2-iodo-4-phenyldiazenylaniline?
The canonical SMILES for 2-iodo-4-phenyldiazenylaniline is Nc1ccc(/N=N/c2ccccc2)cc1I.
What is the InChIKey of 2-iodo-4-phenyldiazenylaniline?
The InChIKey is NFNFUKAYXXCEQN-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H10IN3/c13-11-8-10(6-7-12(11)14)16-15-9-4-2-1-3-5-9/h1-8H,14H2/b16-15+.
What are the key properties of 2-iodo-4-phenyldiazenylaniline?
2-iodo-4-phenyldiazenylaniline has a molecular weight of 323.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-phenyldiazenylaniline is sourced from PubChem (CID 86147627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).