[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol

C11H14INO3 — CID 109468888

IUPAC[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol
SMILESCc1ccc(OCC2(CO)COC2)c(I)n1
InChIInChI=1S/C11H14INO3/c1-8-2-3-9(10(12)13-8)16-7-11(4-14)5-15-6-11/h2-3,14H,4-7H2,1H3
InChIKeyFMIYZJFUNROHQP-UHFFFAOYSA-N
MW335.14 g/mol
LogP1.38
Rot. Bonds4

About [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol

[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol (PubChem CID 109468888) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol
PubChem CID109468888
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC Name[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol
SMILESCc1ccc(OCC2(CO)COC2)c(I)n1
InChIInChI=1S/C11H14INO3/c1-8-2-3-9(10(12)13-8)16-7-11(4-14)5-15-6-11/h2-3,14H,4-7H2,1H3
InChIKeyFMIYZJFUNROHQP-UHFFFAOYSA-N
XLogP1.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol (CID 109468888) is [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol is Cc1ccc(OCC2(CO)COC2)c(I)n1.
What is the InChIKey of [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
The InChIKey is FMIYZJFUNROHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c1-8-2-3-9(10(12)13-8)16-7-11(4-14)5-15-6-11/h2-3,14H,4-7H2,1H3.
What are the key properties of [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol has a molecular weight of 335.14 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol is sourced from PubChem (CID 109468888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).