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

C8H10IN3 — CID 131215501

IUPAC5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine
SMILESNc1ncc([C@@H]2CCN2)cc1I
InChIInChI=1S/C8H10IN3/c9-6-3-5(4-12-8(6)10)7-1-2-11-7/h3-4,7,11H,1-2H2,(H2,10,12)/t7-/m0/s1
InChIKeyXGXMDFIBPCJZDP-ZETCQYMHSA-N
MW275.09 g/mol
LogP1.30
Rot. Bonds1

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

5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine (PubChem CID 131215501) has the molecular formula C8H10IN3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine.

Molecular Properties

Compound Name5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine
PubChem CID131215501
Molecular FormulaC8H10IN3
Molecular Weight275.09 g/mol
Exact Mass274.99
IUPAC Name5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine
SMILESNc1ncc([C@@H]2CCN2)cc1I
InChIInChI=1S/C8H10IN3/c9-6-3-5(4-12-8(6)10)7-1-2-11-7/h3-4,7,11H,1-2H2,(H2,10,12)/t7-/m0/s1
InChIKeyXGXMDFIBPCJZDP-ZETCQYMHSA-N
XLogP1.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine?
The IUPAC name of 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine (CID 131215501) is 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine.
What is the SMILES notation for 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine?
The canonical SMILES for 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine is Nc1ncc([C@@H]2CCN2)cc1I.
What is the InChIKey of 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine?
The InChIKey is XGXMDFIBPCJZDP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10IN3/c9-6-3-5(4-12-8(6)10)7-1-2-11-7/h3-4,7,11H,1-2H2,(H2,10,12)/t7-/m0/s1.
What are the key properties of 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine?
5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine has a molecular weight of 275.09 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-azetidin-2-yl]-3-iodopyridin-2-amine is sourced from PubChem (CID 131215501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).