3-pyridin-2-yl-1,3-oxazolidine-2,4-dione

C8H6N2O3 — CID 130058085

IUPAC3-pyridin-2-yl-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1c1ccccn1
InChIInChI=1S/C8H6N2O3/c11-7-5-13-8(12)10(7)6-3-1-2-4-9-6/h1-4H,5H2
InChIKeyGMICTXABIWYWRC-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.56
Rot. Bonds1

About 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione

3-pyridin-2-yl-1,3-oxazolidine-2,4-dione (PubChem CID 130058085) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-pyridin-2-yl-1,3-oxazolidine-2,4-dione
PubChem CID130058085
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name3-pyridin-2-yl-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1c1ccccn1
InChIInChI=1S/C8H6N2O3/c11-7-5-13-8(12)10(7)6-3-1-2-4-9-6/h1-4H,5H2
InChIKeyGMICTXABIWYWRC-UHFFFAOYSA-N
XLogP0.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione (CID 130058085) is 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione?
The InChIKey is GMICTXABIWYWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-5-13-8(12)10(7)6-3-1-2-4-9-6/h1-4H,5H2.
What are the key properties of 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione?
3-pyridin-2-yl-1,3-oxazolidine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 130058085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).