[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol

C9H11IN2O — CID 130606478

IUPAC[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol
SMILESOCC1CN(c2ncccc2I)C1
InChIInChI=1S/C9H11IN2O/c10-8-2-1-3-11-9(8)12-4-7(5-12)6-13/h1-3,7,13H,4-6H2
InChIKeyVKUSIXBEXOROAB-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.11
Rot. Bonds2

About [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol

[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol (PubChem CID 130606478) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol
PubChem CID130606478
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol
SMILESOCC1CN(c2ncccc2I)C1
InChIInChI=1S/C9H11IN2O/c10-8-2-1-3-11-9(8)12-4-7(5-12)6-13/h1-3,7,13H,4-6H2
InChIKeyVKUSIXBEXOROAB-UHFFFAOYSA-N
XLogP1.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.11
H-Bond Donors ≤ 51
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 [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol (CID 130606478) is [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol is OCC1CN(c2ncccc2I)C1.
What is the InChIKey of [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol?
The InChIKey is VKUSIXBEXOROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c10-8-2-1-3-11-9(8)12-4-7(5-12)6-13/h1-3,7,13H,4-6H2.
What are the key properties of [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol?
[1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol has a molecular weight of 290.10 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-iodo-2-pyridinyl)azetidin-3-yl]methanol is sourced from PubChem (CID 130606478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).