4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine

C9H12N2 — CID 153432442

IUPAC4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine
SMILESC[C@@H]1[C@H](C)N1c1ccncc1
InChIInChI=1S/C9H12N2/c1-7-8(2)11(7)9-3-5-10-6-4-9/h3-8H,1-2H3/t7-,8+,11?
InChIKeyNNFHMZQSLICNMB-OQJHAAMPSA-N
MW148.21 g/mol
LogP1.68
Rot. Bonds1

About 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine

4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine (PubChem CID 153432442) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine.

Molecular Properties

Compound Name4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine
PubChem CID153432442
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine
SMILESC[C@@H]1[C@H](C)N1c1ccncc1
InChIInChI=1S/C9H12N2/c1-7-8(2)11(7)9-3-5-10-6-4-9/h3-8H,1-2H3/t7-,8+,11?
InChIKeyNNFHMZQSLICNMB-OQJHAAMPSA-N
XLogP1.68
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethylpyrrolidin-1-yl)pyridine
CID 57275656
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8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
CID 91623876
4-[(1S,2S)-2-methylcyclopropyl]pyridine
CID 40787591
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
2,5-dimethyl-1-pyridin-4-ylpiperazine
CID 64983891
(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
CID 99779502
1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
CID 86820034
2-methyl-1-pyridin-4-ylpiperidin-4-one
CID 53403380
4-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682788
4-pyrrolidin-1-ylpyridine
CID 158456628
4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine
CID 102785783

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine?
The IUPAC name of 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine (CID 153432442) is 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine.
What is the SMILES notation for 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine?
The canonical SMILES for 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine is C[C@@H]1[C@H](C)N1c1ccncc1.
What is the InChIKey of 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine?
The InChIKey is NNFHMZQSLICNMB-OQJHAAMPSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-8(2)11(7)9-3-5-10-6-4-9/h3-8H,1-2H3/t7-,8+,11?.
What are the key properties of 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine?
4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine is sourced from PubChem (CID 153432442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).