4,6-dimethylidene-3H-pyridine

C7H9N — CID 23532155

IUPAC4,6-dimethylidene-3H-pyridine
SMILESC=C1CC=NC(=C)C1
InChIInChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h4H,1-3,5H2
InChIKeySQBVRLOTCQRRRT-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds

About 4,6-dimethylidene-3H-pyridine

4,6-dimethylidene-3H-pyridine (PubChem CID 23532155) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 4,6-dimethylidene-3H-pyridine.

Molecular Properties

Compound Name4,6-dimethylidene-3H-pyridine
PubChem CID23532155
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name4,6-dimethylidene-3H-pyridine
SMILESC=C1CC=NC(=C)C1
InChIInChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h4H,1-3,5H2
InChIKeySQBVRLOTCQRRRT-UHFFFAOYSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylidene-3H-pyridine?
The IUPAC name of 4,6-dimethylidene-3H-pyridine (CID 23532155) is 4,6-dimethylidene-3H-pyridine.
What is the SMILES notation for 4,6-dimethylidene-3H-pyridine?
The canonical SMILES for 4,6-dimethylidene-3H-pyridine is C=C1CC=NC(=C)C1.
What is the InChIKey of 4,6-dimethylidene-3H-pyridine?
The InChIKey is SQBVRLOTCQRRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h4H,1-3,5H2.
What are the key properties of 4,6-dimethylidene-3H-pyridine?
4,6-dimethylidene-3H-pyridine has a molecular weight of 107.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylidene-3H-pyridine is sourced from PubChem (CID 23532155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).