1-ethyl-2-oxopyridine-4-carboxylic acid

C8H9NO3 — CID 37134599

IUPAC1-ethyl-2-oxopyridine-4-carboxylic acid
SMILESCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C8H9NO3/c1-2-9-4-3-6(8(11)12)5-7(9)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyMZLMUTMYNUZZTC-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.57
Rot. Bonds2

About 1-ethyl-2-oxopyridine-4-carboxylic acid

1-ethyl-2-oxopyridine-4-carboxylic acid (PubChem CID 37134599) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-ethyl-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-oxopyridine-4-carboxylic acid
PubChem CID37134599
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-ethyl-2-oxopyridine-4-carboxylic acid
SMILESCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C8H9NO3/c1-2-9-4-3-6(8(11)12)5-7(9)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyMZLMUTMYNUZZTC-UHFFFAOYSA-N
XLogP0.57
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-ethyl-2-oxopyridine-4-carboxylic acid (CID 37134599) is 1-ethyl-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-2-oxopyridine-4-carboxylic acid is CCn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-ethyl-2-oxopyridine-4-carboxylic acid?
The InChIKey is MZLMUTMYNUZZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-9-4-3-6(8(11)12)5-7(9)10/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 1-ethyl-2-oxopyridine-4-carboxylic acid?
1-ethyl-2-oxopyridine-4-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 37134599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).