3-[(2S)-aziridin-2-yl]-5-methoxypyridine

C8H10N2O — CID 55263273

IUPAC3-[(2S)-aziridin-2-yl]-5-methoxypyridine
SMILESCOc1cncc([C@H]2CN2)c1
InChIInChI=1S/C8H10N2O/c1-11-7-2-6(3-9-4-7)8-5-10-8/h2-4,8,10H,5H2,1H3/t8-/m1/s1
InChIKeyUAGKYDFVDTUUAI-MRVPVSSYSA-N
MW150.18 g/mol
LogP0.73
Rot. Bonds2

About 3-[(2S)-aziridin-2-yl]-5-methoxypyridine

3-[(2S)-aziridin-2-yl]-5-methoxypyridine (PubChem CID 55263273) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-[(2S)-aziridin-2-yl]-5-methoxypyridine.

Molecular Properties

Compound Name3-[(2S)-aziridin-2-yl]-5-methoxypyridine
PubChem CID55263273
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-[(2S)-aziridin-2-yl]-5-methoxypyridine
SMILESCOc1cncc([C@H]2CN2)c1
InChIInChI=1S/C8H10N2O/c1-11-7-2-6(3-9-4-7)8-5-10-8/h2-4,8,10H,5H2,1H3/t8-/m1/s1
InChIKeyUAGKYDFVDTUUAI-MRVPVSSYSA-N
XLogP0.73
TPSA44.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-5-methoxypyridine?
The IUPAC name of 3-[(2S)-aziridin-2-yl]-5-methoxypyridine (CID 55263273) is 3-[(2S)-aziridin-2-yl]-5-methoxypyridine.
What is the SMILES notation for 3-[(2S)-aziridin-2-yl]-5-methoxypyridine?
The canonical SMILES for 3-[(2S)-aziridin-2-yl]-5-methoxypyridine is COc1cncc([C@H]2CN2)c1.
What is the InChIKey of 3-[(2S)-aziridin-2-yl]-5-methoxypyridine?
The InChIKey is UAGKYDFVDTUUAI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-11-7-2-6(3-9-4-7)8-5-10-8/h2-4,8,10H,5H2,1H3/t8-/m1/s1.
What are the key properties of 3-[(2S)-aziridin-2-yl]-5-methoxypyridine?
3-[(2S)-aziridin-2-yl]-5-methoxypyridine has a molecular weight of 150.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-aziridin-2-yl]-5-methoxypyridine is sourced from PubChem (CID 55263273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).