2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile

C10H6N4 — CID 71428221

IUPAC2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile
SMILESCN1C=C(C#N)C=CC1=C(C#N)C#N
InChIInChI=1S/C10H6N4/c1-14-7-8(4-11)2-3-10(14)9(5-12)6-13/h2-3,7H,1H3
InChIKeyWNJODGIYRVFGEN-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.20
Rot. Bonds

About 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile

2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile (PubChem CID 71428221) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile.

Molecular Properties

Compound Name2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile
PubChem CID71428221
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile
SMILESCN1C=C(C#N)C=CC1=C(C#N)C#N
InChIInChI=1S/C10H6N4/c1-14-7-8(4-11)2-3-10(14)9(5-12)6-13/h2-3,7H,1H3
InChIKeyWNJODGIYRVFGEN-UHFFFAOYSA-N
XLogP1.20
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.20
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-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile?
The IUPAC name of 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile (CID 71428221) is 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile.
What is the SMILES notation for 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile?
The canonical SMILES for 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile is CN1C=C(C#N)C=CC1=C(C#N)C#N.
What is the InChIKey of 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile?
The InChIKey is WNJODGIYRVFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-14-7-8(4-11)2-3-10(14)9(5-12)6-13/h2-3,7H,1H3.
What are the key properties of 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile?
2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile has a molecular weight of 182.19 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-1-methyl-2-pyridinylidene)propanedinitrile is sourced from PubChem (CID 71428221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).