5-ethoxycarbonylpyridine-3-carboxylic acid

C9H9NO4 — CID 1214446

IUPAC5-ethoxycarbonylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H9NO4/c1-2-14-9(13)7-3-6(8(11)12)4-10-5-7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyGHKOMFAUZDGVHG-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.96
Rot. Bonds3

About 5-ethoxycarbonylpyridine-3-carboxylic acid

5-ethoxycarbonylpyridine-3-carboxylic acid (PubChem CID 1214446) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 5-ethoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonylpyridine-3-carboxylic acid
PubChem CID1214446
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name5-ethoxycarbonylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H9NO4/c1-2-14-9(13)7-3-6(8(11)12)4-10-5-7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyGHKOMFAUZDGVHG-UHFFFAOYSA-N
XLogP0.96
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 5-ethoxycarbonylpyridine-3-carboxylic acid (CID 1214446) is 5-ethoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonylpyridine-3-carboxylic acid is CCOC(=O)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-ethoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is GHKOMFAUZDGVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-2-14-9(13)7-3-6(8(11)12)4-10-5-7/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 5-ethoxycarbonylpyridine-3-carboxylic acid?
5-ethoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 1214446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).