2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol

C11H10FNO3 — CID 142674428

IUPAC2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol
SMILESOC1COC(C#Cc2cccc(F)n2)C1O
InChIInChI=1S/C11H10FNO3/c12-10-3-1-2-7(13-10)4-5-9-11(15)8(14)6-16-9/h1-3,8-9,11,14-15H,6H2
InChIKeyVSYROOYKKGHBEA-UHFFFAOYSA-N
MW223.20 g/mol
LogP-0.31
Rot. Bonds

About 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol

2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol (PubChem CID 142674428) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol
PubChem CID142674428
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol
SMILESOC1COC(C#Cc2cccc(F)n2)C1O
InChIInChI=1S/C11H10FNO3/c12-10-3-1-2-7(13-10)4-5-9-11(15)8(14)6-16-9/h1-3,8-9,11,14-15H,6H2
InChIKeyVSYROOYKKGHBEA-UHFFFAOYSA-N
XLogP-0.31
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Fluoro-6-methylpyridin-2-yl)prop-2-yn-1-ol
CID 11344196
4-(5-Fluoro-6-methylpyridin-2-yl)but-3-yn-2-ol
CID 11401108
4-[6-(Trifluoromethyl)pyridin-2-yl]but-3-yn-2-ol
CID 57840350
4-(6-(Fluoromethyl)pyridin-2-yl)but-3-yn-1-ol
CID 66598264
3-[6-(Fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol
CID 68606977
6-[5-fluoro-6-[(E)-hydroxyiminomethyl]-2-pyridinyl]hex-5-yn-1-ol
CID 138556556
6-[5-Fluoro-6-(hydroxyiminomethyl)-2-pyridinyl]hex-5-yn-1-ol
CID 141700996
3-(6-Fluoro-2-pyridinyl)prop-2-yn-1-ol
CID 146626817
6-[5-fluoro-6-[(Z)-hydroxyiminomethyl]-2-pyridinyl]hex-5-yn-1-ol
CID 154621592
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyridine
CID 171556780
CID 171558815
CID 171558815
Ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol
CID 178007843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol?
The IUPAC name of 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol (CID 142674428) is 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol.
What is the SMILES notation for 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol?
The canonical SMILES for 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol is OC1COC(C#Cc2cccc(F)n2)C1O.
What is the InChIKey of 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol?
The InChIKey is VSYROOYKKGHBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-10-3-1-2-7(13-10)4-5-9-11(15)8(14)6-16-9/h1-3,8-9,11,14-15H,6H2.
What are the key properties of 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol?
2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol has a molecular weight of 223.20 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol is sourced from PubChem (CID 142674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).