2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol

C10H13NO3 — CID 59574538

IUPAC2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol
SMILESOC(CC1OCCO1)c1ccncc1
InChIInChI=1S/C10H13NO3/c12-9(7-10-13-5-6-14-10)8-1-3-11-4-2-8/h1-4,9-10,12H,5-7H2
InChIKeyHWZGCYXYDJEWDJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol

2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol (PubChem CID 59574538) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol
PubChem CID59574538
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol
SMILESOC(CC1OCCO1)c1ccncc1
InChIInChI=1S/C10H13NO3/c12-9(7-10-13-5-6-14-10)8-1-3-11-4-2-8/h1-4,9-10,12H,5-7H2
InChIKeyHWZGCYXYDJEWDJ-UHFFFAOYSA-N
XLogP0.88
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol (CID 59574538) is 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol is OC(CC1OCCO1)c1ccncc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol?
The InChIKey is HWZGCYXYDJEWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9(7-10-13-5-6-14-10)8-1-3-11-4-2-8/h1-4,9-10,12H,5-7H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol?
2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol has a molecular weight of 195.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 59574538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).