2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile

C12H10Cl2N4 — CID 13127504

IUPAC2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile
SMILESCCc1ccc(NNC=C(C#N)C#N)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4/c1-2-9-3-4-10(12(14)11(9)13)18-17-7-8(5-15)6-16/h3-4,7,17-18H,2H2,1H3
InChIKeyJADRUDDSQZOIOX-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.40
Rot. Bonds4

About 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile

2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile (PubChem CID 13127504) has the molecular formula C12H10Cl2N4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile
PubChem CID13127504
Molecular FormulaC12H10Cl2N4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile
SMILESCCc1ccc(NNC=C(C#N)C#N)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4/c1-2-9-3-4-10(12(14)11(9)13)18-17-7-8(5-15)6-16/h3-4,7,17-18H,2H2,1H3
InChIKeyJADRUDDSQZOIOX-UHFFFAOYSA-N
XLogP3.40
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile (CID 13127504) is 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile is CCc1ccc(NNC=C(C#N)C#N)c(Cl)c1Cl.
What is the InChIKey of 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile?
The InChIKey is JADRUDDSQZOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4/c1-2-9-3-4-10(12(14)11(9)13)18-17-7-8(5-15)6-16/h3-4,7,17-18H,2H2,1H3.
What are the key properties of 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile?
2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile has a molecular weight of 281.15 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile is sourced from PubChem (CID 13127504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).