2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol

C11H14ClNO3 — CID 139501291

IUPAC2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol
SMILESOCCOc1cc(Cl)nc(C2CCOC2)c1
InChIInChI=1S/C11H14ClNO3/c12-11-6-9(16-4-2-14)5-10(13-11)8-1-3-15-7-8/h5-6,8,14H,1-4,7H2
InChIKeyINYWWGQZHLAWSL-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.61
Rot. Bonds4

About 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol

2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol (PubChem CID 139501291) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol
PubChem CID139501291
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol
SMILESOCCOc1cc(Cl)nc(C2CCOC2)c1
InChIInChI=1S/C11H14ClNO3/c12-11-6-9(16-4-2-14)5-10(13-11)8-1-3-15-7-8/h5-6,8,14H,1-4,7H2
InChIKeyINYWWGQZHLAWSL-UHFFFAOYSA-N
XLogP1.61
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
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 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol (CID 139501291) is 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol is OCCOc1cc(Cl)nc(C2CCOC2)c1.
What is the InChIKey of 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol?
The InChIKey is INYWWGQZHLAWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-11-6-9(16-4-2-14)5-10(13-11)8-1-3-15-7-8/h5-6,8,14H,1-4,7H2.
What are the key properties of 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol?
2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol has a molecular weight of 243.69 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(oxolan-3-yl)-4-pyridinyl]oxy]ethanol is sourced from PubChem (CID 139501291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).