3-[(2S)-aziridin-2-yl]pyridine

C7H8N2 — CID 55263397

IUPAC3-[(2S)-aziridin-2-yl]pyridine
SMILESc1cncc([C@H]2CN2)c1
InChIInChI=1S/C7H8N2/c1-2-6(4-8-3-1)7-5-9-7/h1-4,7,9H,5H2/t7-/m1/s1
InChIKeyZEOGTTBCZGYYGY-SSDOTTSWSA-N
MW120.15 g/mol
LogP0.73
Rot. Bonds1

About 3-[(2S)-aziridin-2-yl]pyridine

3-[(2S)-aziridin-2-yl]pyridine (PubChem CID 55263397) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-[(2S)-aziridin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-aziridin-2-yl]pyridine
PubChem CID55263397
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3-[(2S)-aziridin-2-yl]pyridine
SMILESc1cncc([C@H]2CN2)c1
InChIInChI=1S/C7H8N2/c1-2-6(4-8-3-1)7-5-9-7/h1-4,7,9H,5H2/t7-/m1/s1
InChIKeyZEOGTTBCZGYYGY-SSDOTTSWSA-N
XLogP0.73
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-aziridin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-aziridin-2-yl]pyridine (CID 55263397) is 3-[(2S)-aziridin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-aziridin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-aziridin-2-yl]pyridine is c1cncc([C@H]2CN2)c1.
What is the InChIKey of 3-[(2S)-aziridin-2-yl]pyridine?
The InChIKey is ZEOGTTBCZGYYGY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6(4-8-3-1)7-5-9-7/h1-4,7,9H,5H2/t7-/m1/s1.
What are the key properties of 3-[(2S)-aziridin-2-yl]pyridine?
3-[(2S)-aziridin-2-yl]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-aziridin-2-yl]pyridine is sourced from PubChem (CID 55263397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).