2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile

C16H10Cl2N4 — CID 939709

IUPAC2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CN=c1ccn(Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H10Cl2N4/c17-14-2-1-13(16(18)7-14)11-22-5-3-15(4-6-22)21-10-12(8-19)9-20/h1-7,10H,11H2
InChIKeyZNKZJFNZLZIBKB-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.67
Rot. Bonds3

About 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile

2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile (PubChem CID 939709) has the molecular formula C16H10Cl2N4 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile
PubChem CID939709
Molecular FormulaC16H10Cl2N4
Molecular Weight329.19 g/mol
Exact Mass328.03
IUPAC Name2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CN=c1ccn(Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H10Cl2N4/c17-14-2-1-13(16(18)7-14)11-22-5-3-15(4-6-22)21-10-12(8-19)9-20/h1-7,10H,11H2
InChIKeyZNKZJFNZLZIBKB-UHFFFAOYSA-N
XLogP3.67
TPSA64.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile?
The IUPAC name of 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile (CID 939709) is 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile?
The canonical SMILES for 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile is N#CC(C#N)=CN=c1ccn(Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile?
The InChIKey is ZNKZJFNZLZIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4/c17-14-2-1-13(16(18)7-14)11-22-5-3-15(4-6-22)21-10-12(8-19)9-20/h1-7,10H,11H2.
What are the key properties of 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile?
2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile has a molecular weight of 329.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]amino]methylidene]propanedinitrile is sourced from PubChem (CID 939709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).