2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile

C10H6Cl2N4 — CID 3049421

IUPAC2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cc(Cl)cc(Cl)c1NN=C(C#N)C#N
InChIInChI=1S/C10H6Cl2N4/c1-6-2-7(11)3-9(12)10(6)16-15-8(4-13)5-14/h2-3,16H,1H3
InChIKeyQZCWPTMVGWJWQH-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.12
Rot. Bonds2

About 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile

2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 3049421) has the molecular formula C10H6Cl2N4 and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile
PubChem CID3049421
Molecular FormulaC10H6Cl2N4
Molecular Weight253.09 g/mol
Exact Mass252.00
IUPAC Name2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cc(Cl)cc(Cl)c1NN=C(C#N)C#N
InChIInChI=1S/C10H6Cl2N4/c1-6-2-7(11)3-9(12)10(6)16-15-8(4-13)5-14/h2-3,16H,1H3
InChIKeyQZCWPTMVGWJWQH-UHFFFAOYSA-N
XLogP3.12
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile (CID 3049421) is 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile is Cc1cc(Cl)cc(Cl)c1NN=C(C#N)C#N.
What is the InChIKey of 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is QZCWPTMVGWJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4/c1-6-2-7(11)3-9(12)10(6)16-15-8(4-13)5-14/h2-3,16H,1H3.
What are the key properties of 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile?
2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 253.09 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-6-methylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 3049421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).