2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile

C11H4ClIN4 — CID 168606199

IUPAC2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1cc(Cl)ccc1I
InChIInChI=1S/C11H4ClIN4/c12-8-1-2-9(13)10(3-8)17-11(6-16)7(4-14)5-15/h1-3,17H
InChIKeyARTFOWVRGKUJMA-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.18
Rot. Bonds2

About 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile

2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile (PubChem CID 168606199) has the molecular formula C11H4ClIN4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile
PubChem CID168606199
Molecular FormulaC11H4ClIN4
Molecular Weight354.54 g/mol
Exact Mass353.92
IUPAC Name2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1cc(Cl)ccc1I
InChIInChI=1S/C11H4ClIN4/c12-8-1-2-9(13)10(3-8)17-11(6-16)7(4-14)5-15/h1-3,17H
InChIKeyARTFOWVRGKUJMA-UHFFFAOYSA-N
XLogP3.18
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-2-(hydroxymethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168606276
5-chloro-2-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168610808
5-chloro-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168610806
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
2-(5-chloro-2-imidazol-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168610687
2-(3-fluoro-2-hydroxy-4-iodoanilino)ethene-1,1,2-tricarbonitrile
CID 168610310
2-(3-iodo-4-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168610702
2-(2-fluoro-4-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168601032
2-[4-chloro-2-(piperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607785
2,3-dichloro-4-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168609884
2-(5-chloro-2-hydroxy-4-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168610202
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile (CID 168606199) is 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)Nc1cc(Cl)ccc1I.
What is the InChIKey of 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile?
The InChIKey is ARTFOWVRGKUJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClIN4/c12-8-1-2-9(13)10(3-8)17-11(6-16)7(4-14)5-15/h1-3,17H.
What are the key properties of 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile?
2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile has a molecular weight of 354.54 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 168606199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).