2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile

C11H9IN4O — CID 169341191

IUPAC2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1ccc(I)cc1NN=C(C#N)C#N
InChIInChI=1S/C11H9IN4O/c1-2-17-11-4-3-8(12)5-10(11)16-15-9(6-13)7-14/h3-5,16H,2H2,1H3
InChIKeyJXNQRAZRQUKQFQ-UHFFFAOYSA-N
MW340.12 g/mol
LogP2.50
Rot. Bonds4

About 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile

2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341191) has the molecular formula C11H9IN4O and a molecular weight of 340.12 g/mol. Its IUPAC name is 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile
PubChem CID169341191
Molecular FormulaC11H9IN4O
Molecular Weight340.12 g/mol
Exact Mass339.98
IUPAC Name2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1ccc(I)cc1NN=C(C#N)C#N
InChIInChI=1S/C11H9IN4O/c1-2-17-11-4-3-8(12)5-10(11)16-15-9(6-13)7-14/h3-5,16H,2H2,1H3
InChIKeyJXNQRAZRQUKQFQ-UHFFFAOYSA-N
XLogP2.50
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341784
ethyl 2-[2-(dicyanomethylidene)hydrazinyl]-5-iodobenzoate
CID 169337413
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341879
2-[(3-bromo-5-chloro-2-ethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338504
2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340530
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
CID 169338596
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
(1Z)-N-(4-bromo-2-ethoxyanilino)-2-methylpropanimidoyl cyanide
CID 175735130

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile (CID 169341191) is 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile is CCOc1ccc(I)cc1NN=C(C#N)C#N.
What is the InChIKey of 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is JXNQRAZRQUKQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4O/c1-2-17-11-4-3-8(12)5-10(11)16-15-9(6-13)7-14/h3-5,16H,2H2,1H3.
What are the key properties of 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile?
2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 340.12 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).