2-[(2-iodophenyl)methylidene]propanedinitrile

C10H5IN2 — CID 2302403

IUPAC2-[(2-iodophenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccccc1I
InChIInChI=1S/C10H5IN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
InChIKeyOZCIBKQZAKMDQX-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.72
Rot. Bonds1

About 2-[(2-iodophenyl)methylidene]propanedinitrile

2-[(2-iodophenyl)methylidene]propanedinitrile (PubChem CID 2302403) has the molecular formula C10H5IN2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 2-[(2-iodophenyl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-iodophenyl)methylidene]propanedinitrile
PubChem CID2302403
Molecular FormulaC10H5IN2
Molecular Weight280.07 g/mol
Exact Mass279.95
IUPAC Name2-[(2-iodophenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccccc1I
InChIInChI=1S/C10H5IN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
InChIKeyOZCIBKQZAKMDQX-UHFFFAOYSA-N
XLogP2.72
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxyphenyl)methylidene]propanedinitrile
CID 23409
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
CID 3906510
2-[(2,3-dihydroxyphenyl)methylidene]propanedinitrile
CID 23057144
2-(2,2-dicyanoethenyl)-N-hydroxybenzeneamine oxide
CID 23617874
3-(2-iodophenyl)prop-2-enenitrile
CID 5013093
2-[(2,3-dimethylphenyl)methylidene]propanedinitrile
CID 130159320
1-iodo-2-[(E)-2-(2-iodophenyl)ethenyl]benzene
CID 10812610
2-methoxyethyl (Z)-2-cyano-3-(2-iodophenyl)prop-2-enoate
CID 2688487
2-methoxyethyl (E)-2-cyano-3-(2-iodophenyl)prop-2-enoate
CID 2688488
(Z)-2-cyano-3-(2-iodophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2688955
3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3824630

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)methylidene]propanedinitrile?
The IUPAC name of 2-[(2-iodophenyl)methylidene]propanedinitrile (CID 2302403) is 2-[(2-iodophenyl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-iodophenyl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2-iodophenyl)methylidene]propanedinitrile is N#CC(C#N)=Cc1ccccc1I.
What is the InChIKey of 2-[(2-iodophenyl)methylidene]propanedinitrile?
The InChIKey is OZCIBKQZAKMDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H.
What are the key properties of 2-[(2-iodophenyl)methylidene]propanedinitrile?
2-[(2-iodophenyl)methylidene]propanedinitrile has a molecular weight of 280.07 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)methylidene]propanedinitrile is sourced from PubChem (CID 2302403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).