2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid

C12H15NO4 — CID 82902851

IUPAC2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H15NO4/c14-11-8-9(12(15)16)3-5-13(11)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2,(H,15,16)
InChIKeyZQVFSXCLQYNEMO-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.12
Rot. Bonds4

About 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid

2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid (PubChem CID 82902851) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid
PubChem CID82902851
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C12H15NO4/c14-11-8-9(12(15)16)3-5-13(11)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2,(H,15,16)
InChIKeyZQVFSXCLQYNEMO-UHFFFAOYSA-N
XLogP1.12
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid (CID 82902851) is 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccn(CCC2CCCO2)c(=O)c1.
What is the InChIKey of 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid?
The InChIKey is ZQVFSXCLQYNEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11-8-9(12(15)16)3-5-13(11)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2,(H,15,16).
What are the key properties of 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid?
2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 82902851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).