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

C7H7FN2 — CID 55263159

IUPAC3-[(2S)-aziridin-2-yl]-2-fluoropyridine
SMILESFc1ncccc1[C@H]1CN1
InChIInChI=1S/C7H7FN2/c8-7-5(6-4-10-6)2-1-3-9-7/h1-3,6,10H,4H2/t6-/m1/s1
InChIKeyWTQXIEUFVIAJQY-ZCFIWIBFSA-N
MW138.15 g/mol
LogP0.87
Rot. Bonds1

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

3-[(2S)-aziridin-2-yl]-2-fluoropyridine (PubChem CID 55263159) has the molecular formula C7H7FN2 and a molecular weight of 138.15 g/mol. Its IUPAC name is 3-[(2S)-aziridin-2-yl]-2-fluoropyridine.

Molecular Properties

Compound Name3-[(2S)-aziridin-2-yl]-2-fluoropyridine
PubChem CID55263159
Molecular FormulaC7H7FN2
Molecular Weight138.15 g/mol
Exact Mass138.06
IUPAC Name3-[(2S)-aziridin-2-yl]-2-fluoropyridine
SMILESFc1ncccc1[C@H]1CN1
InChIInChI=1S/C7H7FN2/c8-7-5(6-4-10-6)2-1-3-9-7/h1-3,6,10H,4H2/t6-/m1/s1
InChIKeyWTQXIEUFVIAJQY-ZCFIWIBFSA-N
XLogP0.87
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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]-2-fluoropyridine?
The IUPAC name of 3-[(2S)-aziridin-2-yl]-2-fluoropyridine (CID 55263159) is 3-[(2S)-aziridin-2-yl]-2-fluoropyridine.
What is the SMILES notation for 3-[(2S)-aziridin-2-yl]-2-fluoropyridine?
The canonical SMILES for 3-[(2S)-aziridin-2-yl]-2-fluoropyridine is Fc1ncccc1[C@H]1CN1.
What is the InChIKey of 3-[(2S)-aziridin-2-yl]-2-fluoropyridine?
The InChIKey is WTQXIEUFVIAJQY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7FN2/c8-7-5(6-4-10-6)2-1-3-9-7/h1-3,6,10H,4H2/t6-/m1/s1.
What are the key properties of 3-[(2S)-aziridin-2-yl]-2-fluoropyridine?
3-[(2S)-aziridin-2-yl]-2-fluoropyridine has a molecular weight of 138.15 g/mol, XLogP of 0.87, 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]-2-fluoropyridine is sourced from PubChem (CID 55263159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).