5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine

C9H12FN3O — CID 45116350

IUPAC5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
SMILESNc1cc(OC[C@@H]2CCN2)cnc1F
InChIInChI=1S/C9H12FN3O/c10-9-8(11)3-7(4-13-9)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5,11H2/t6-/m0/s1
InChIKeyMLIVLOLZHXGXLC-LURJTMIESA-N
MW197.21 g/mol
LogP0.54
Rot. Bonds3

About 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine

5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine (PubChem CID 45116350) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine.

Molecular Properties

Compound Name5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
PubChem CID45116350
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
SMILESNc1cc(OC[C@@H]2CCN2)cnc1F
InChIInChI=1S/C9H12FN3O/c10-9-8(11)3-7(4-13-9)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5,11H2/t6-/m0/s1
InChIKeyMLIVLOLZHXGXLC-LURJTMIESA-N
XLogP0.54
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine?
The IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine (CID 45116350) is 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine.
What is the SMILES notation for 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine?
The canonical SMILES for 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine is Nc1cc(OC[C@@H]2CCN2)cnc1F.
What is the InChIKey of 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine?
The InChIKey is MLIVLOLZHXGXLC-LURJTMIESA-N. The full InChI is InChI=1S/C9H12FN3O/c10-9-8(11)3-7(4-13-9)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5,11H2/t6-/m0/s1.
What are the key properties of 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine?
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine has a molecular weight of 197.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine is sourced from PubChem (CID 45116350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).