2-(1-methyl-2-pyridinylidene)acetonitrile

C8H8N2 — CID 54059041

IUPAC2-(1-methyl-2-pyridinylidene)acetonitrile
SMILESCN1C=CC=CC1=CC#N
InChIInChI=1S/C8H8N2/c1-10-7-3-2-4-8(10)5-6-9/h2-5,7H,1H3
InChIKeyLYILUGMLXBGVOQ-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.41
Rot. Bonds

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

2-(1-methyl-2-pyridinylidene)acetonitrile (PubChem CID 54059041) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-(1-methyl-2-pyridinylidene)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-2-pyridinylidene)acetonitrile
PubChem CID54059041
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-(1-methyl-2-pyridinylidene)acetonitrile
SMILESCN1C=CC=CC1=CC#N
InChIInChI=1S/C8H8N2/c1-10-7-3-2-4-8(10)5-6-9/h2-5,7H,1H3
InChIKeyLYILUGMLXBGVOQ-UHFFFAOYSA-N
XLogP1.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)acetonitrile?
The IUPAC name of 2-(1-methyl-2-pyridinylidene)acetonitrile (CID 54059041) is 2-(1-methyl-2-pyridinylidene)acetonitrile.
What is the SMILES notation for 2-(1-methyl-2-pyridinylidene)acetonitrile?
The canonical SMILES for 2-(1-methyl-2-pyridinylidene)acetonitrile is CN1C=CC=CC1=CC#N.
What is the InChIKey of 2-(1-methyl-2-pyridinylidene)acetonitrile?
The InChIKey is LYILUGMLXBGVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-10-7-3-2-4-8(10)5-6-9/h2-5,7H,1H3.
What are the key properties of 2-(1-methyl-2-pyridinylidene)acetonitrile?
2-(1-methyl-2-pyridinylidene)acetonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-pyridinylidene)acetonitrile is sourced from PubChem (CID 54059041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).