3-(aziridin-1-yl)-2-methylpyridine

C8H10N2 — CID 54398386

IUPAC3-(aziridin-1-yl)-2-methylpyridine
SMILESCc1ncccc1N1CC1
InChIInChI=1S/C8H10N2/c1-7-8(10-5-6-10)3-2-4-9-7/h2-4H,5-6H2,1H3
InChIKeyVLQSAGFNOQTAGP-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.21
Rot. Bonds1

About 3-(aziridin-1-yl)-2-methylpyridine

3-(aziridin-1-yl)-2-methylpyridine (PubChem CID 54398386) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-(aziridin-1-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-(aziridin-1-yl)-2-methylpyridine
PubChem CID54398386
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-(aziridin-1-yl)-2-methylpyridine
SMILESCc1ncccc1N1CC1
InChIInChI=1S/C8H10N2/c1-7-8(10-5-6-10)3-2-4-9-7/h2-4H,5-6H2,1H3
InChIKeyVLQSAGFNOQTAGP-UHFFFAOYSA-N
XLogP1.21
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(aziridin-1-yl)-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-1-yl)-2-methylpyridine?
The IUPAC name of 3-(aziridin-1-yl)-2-methylpyridine (CID 54398386) is 3-(aziridin-1-yl)-2-methylpyridine.
What is the SMILES notation for 3-(aziridin-1-yl)-2-methylpyridine?
The canonical SMILES for 3-(aziridin-1-yl)-2-methylpyridine is Cc1ncccc1N1CC1.
What is the InChIKey of 3-(aziridin-1-yl)-2-methylpyridine?
The InChIKey is VLQSAGFNOQTAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-8(10-5-6-10)3-2-4-9-7/h2-4H,5-6H2,1H3.
What are the key properties of 3-(aziridin-1-yl)-2-methylpyridine?
3-(aziridin-1-yl)-2-methylpyridine has a molecular weight of 134.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-1-yl)-2-methylpyridine is sourced from PubChem (CID 54398386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).