2-ethoxypyridine-4-carboxylic acid

C8H9NO3 — CID 592401

IUPAC2-ethoxypyridine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)ccn1
InChIInChI=1S/C8H9NO3/c1-2-12-7-5-6(8(10)11)3-4-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyZGGJYLYCHXPTRY-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.18
Rot. Bonds3

About 2-ethoxypyridine-4-carboxylic acid

2-ethoxypyridine-4-carboxylic acid (PubChem CID 592401) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-ethoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxypyridine-4-carboxylic acid
PubChem CID592401
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-ethoxypyridine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)ccn1
InChIInChI=1S/C8H9NO3/c1-2-12-7-5-6(8(10)11)3-4-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyZGGJYLYCHXPTRY-UHFFFAOYSA-N
XLogP1.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypyridine-4-carboxylic acid?
The IUPAC name of 2-ethoxypyridine-4-carboxylic acid (CID 592401) is 2-ethoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-ethoxypyridine-4-carboxylic acid is CCOc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-ethoxypyridine-4-carboxylic acid?
The InChIKey is ZGGJYLYCHXPTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-12-7-5-6(8(10)11)3-4-9-7/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 2-ethoxypyridine-4-carboxylic acid?
2-ethoxypyridine-4-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypyridine-4-carboxylic acid is sourced from PubChem (CID 592401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).