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

C9H7N3 — CID 4139774

IUPAC2-(1-methyl-2-pyridinylidene)propanedinitrile
SMILESCN1C=CC=CC1=C(C#N)C#N
InChIInChI=1S/C9H7N3/c1-12-5-3-2-4-9(12)8(6-10)7-11/h2-5H,1H3
InChIKeyLFSGHZHZNLDXPH-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.30
Rot. Bonds

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

2-(1-methyl-2-pyridinylidene)propanedinitrile (PubChem CID 4139774) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-(1-methyl-2-pyridinylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-methyl-2-pyridinylidene)propanedinitrile
PubChem CID4139774
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-(1-methyl-2-pyridinylidene)propanedinitrile
SMILESCN1C=CC=CC1=C(C#N)C#N
InChIInChI=1S/C9H7N3/c1-12-5-3-2-4-9(12)8(6-10)7-11/h2-5H,1H3
InChIKeyLFSGHZHZNLDXPH-UHFFFAOYSA-N
XLogP1.30
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-pyridinylidene)propanedinitrile?
The IUPAC name of 2-(1-methyl-2-pyridinylidene)propanedinitrile (CID 4139774) is 2-(1-methyl-2-pyridinylidene)propanedinitrile.
What is the SMILES notation for 2-(1-methyl-2-pyridinylidene)propanedinitrile?
The canonical SMILES for 2-(1-methyl-2-pyridinylidene)propanedinitrile is CN1C=CC=CC1=C(C#N)C#N.
What is the InChIKey of 2-(1-methyl-2-pyridinylidene)propanedinitrile?
The InChIKey is LFSGHZHZNLDXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-12-5-3-2-4-9(12)8(6-10)7-11/h2-5H,1H3.
What are the key properties of 2-(1-methyl-2-pyridinylidene)propanedinitrile?
2-(1-methyl-2-pyridinylidene)propanedinitrile has a molecular weight of 157.18 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-pyridinylidene)propanedinitrile is sourced from PubChem (CID 4139774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).