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

C9H11IN2O — CID 6604876

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine
SMILESIc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
InChIKeyRKVRGRXOYDTUEY-QMMMGPOBSA-N
MW290.10 g/mol
LogP1.43
Rot. Bonds3

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine (PubChem CID 6604876) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine
PubChem CID6604876
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine
SMILESIc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
InChIKeyRKVRGRXOYDTUEY-QMMMGPOBSA-N
XLogP1.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.43
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 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine (CID 6604876) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine is Ic1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine?
The InChIKey is RKVRGRXOYDTUEY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine has a molecular weight of 290.10 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine is sourced from PubChem (CID 6604876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).