2-methyl-3,6-dimethylidenepyridine

C8H9N — CID 70499080

IUPAC2-methyl-3,6-dimethylidenepyridine
SMILESC=c1ccc(=C)c(C)n1
InChIInChI=1S/C8H9N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-2H2,3H3
InChIKeyKARWSYKIIVHDLE-UHFFFAOYSA-N
MW119.17 g/mol
LogP0.21
Rot. Bonds

About 2-methyl-3,6-dimethylidenepyridine

2-methyl-3,6-dimethylidenepyridine (PubChem CID 70499080) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 2-methyl-3,6-dimethylidenepyridine.

Molecular Properties

Compound Name2-methyl-3,6-dimethylidenepyridine
PubChem CID70499080
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name2-methyl-3,6-dimethylidenepyridine
SMILESC=c1ccc(=C)c(C)n1
InChIInChI=1S/C8H9N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-2H2,3H3
InChIKeyKARWSYKIIVHDLE-UHFFFAOYSA-N
XLogP0.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6-dimethylidenepyridine?
The IUPAC name of 2-methyl-3,6-dimethylidenepyridine (CID 70499080) is 2-methyl-3,6-dimethylidenepyridine.
What is the SMILES notation for 2-methyl-3,6-dimethylidenepyridine?
The canonical SMILES for 2-methyl-3,6-dimethylidenepyridine is C=c1ccc(=C)c(C)n1.
What is the InChIKey of 2-methyl-3,6-dimethylidenepyridine?
The InChIKey is KARWSYKIIVHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-2H2,3H3.
What are the key properties of 2-methyl-3,6-dimethylidenepyridine?
2-methyl-3,6-dimethylidenepyridine has a molecular weight of 119.17 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-dimethylidenepyridine is sourced from PubChem (CID 70499080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).