2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid

C10H11NO4 — CID 2763733

IUPAC2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
SMILESCCOC(=O)Cc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-15-9(12)6-8-7(10(13)14)4-3-5-11-8/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyHWWYQJVDTXVUMB-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.89
Rot. Bonds4

About 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid

2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid (PubChem CID 2763733) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
PubChem CID2763733
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
SMILESCCOC(=O)Cc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-15-9(12)6-8-7(10(13)14)4-3-5-11-8/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyHWWYQJVDTXVUMB-UHFFFAOYSA-N
XLogP0.89
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid (CID 2763733) is 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid is CCOC(=O)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid?
The InChIKey is HWWYQJVDTXVUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-15-9(12)6-8-7(10(13)14)4-3-5-11-8/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 2763733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).