[2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate

C10H10ClIN2O2 — CID 91394190

IUPAC[2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate
SMILESCC(=O)OCC(Cl)/N=N/c1ccccc1I
InChIInChI=1S/C10H10ClIN2O2/c1-7(15)16-6-10(11)14-13-9-5-3-2-4-8(9)12/h2-5,10H,6H2,1H3/b14-13+
InChIKeyIBMZXUVUFMDSSE-BUHFOSPRSA-N
MW352.56 g/mol
LogP3.50
Rot. Bonds4

About [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate

[2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate (PubChem CID 91394190) has the molecular formula C10H10ClIN2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate.

Molecular Properties

Compound Name[2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate
PubChem CID91394190
Molecular FormulaC10H10ClIN2O2
Molecular Weight352.56 g/mol
Exact Mass351.95
IUPAC Name[2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate
SMILESCC(=O)OCC(Cl)/N=N/c1ccccc1I
InChIInChI=1S/C10H10ClIN2O2/c1-7(15)16-6-10(11)14-13-9-5-3-2-4-8(9)12/h2-5,10H,6H2,1H3/b14-13+
InChIKeyIBMZXUVUFMDSSE-BUHFOSPRSA-N
XLogP3.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate
CID 102256503
(2-chloro-3-oxobutyl) acetate
CID 45120062
[(2S)-2-phenylpropyl] acetate
CID 10261650
(2-iodophenyl) 2,4-dichloro-5-(2-methylprop-2-enoyloxy)pentanoate
CID 141076071
(3-acetyloxy-1-oxo-1-phenylpropan-2-yl)azanium chloride
CID 87566097
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
acetyl acetate;butane-2,3-dione;2-iodoaniline
CID 91488016
2-methylpropyl acetate;toluene
CID 19602176
[2-hydroxy-3-(2-iodophenoxy)propyl] 2-methylprop-2-enoate
CID 171726363
2-chloropropyl acetate
CID 527885
3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione
CID 91483530
[2-[2-(2-acetyloxy-1-ethoxyethoxy)phenoxy]-2-ethoxyethyl] acetate
CID 140556771

Frequently Asked Questions

What is the IUPAC name of [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate?
The IUPAC name of [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate (CID 91394190) is [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate.
What is the SMILES notation for [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate?
The canonical SMILES for [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate is CC(=O)OCC(Cl)/N=N/c1ccccc1I.
What is the InChIKey of [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate?
The InChIKey is IBMZXUVUFMDSSE-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H10ClIN2O2/c1-7(15)16-6-10(11)14-13-9-5-3-2-4-8(9)12/h2-5,10H,6H2,1H3/b14-13+.
What are the key properties of [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate?
[2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate has a molecular weight of 352.56 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate is sourced from PubChem (CID 91394190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).