2-ethyl-6-oxo-1H-pyridine-4-carboxylate

C8H8NO3- — CID 170847915

IUPAC2-ethyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCCc1cc(C(=O)[O-])cc(=O)[nH]1
InChIInChI=1S/C8H9NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h3-4H,2H2,1H3,(H,9,10)(H,11,12)/p-1
InChIKeyQTGMQKBCDNYHSK-UHFFFAOYSA-M
MW166.16 g/mol
LogP-0.70
Rot. Bonds2

About 2-ethyl-6-oxo-1H-pyridine-4-carboxylate

2-ethyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 170847915) has the molecular formula C8H8NO3- and a molecular weight of 166.16 g/mol. Its IUPAC name is 2-ethyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name2-ethyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID170847915
Molecular FormulaC8H8NO3-
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name2-ethyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCCc1cc(C(=O)[O-])cc(=O)[nH]1
InChIInChI=1S/C8H9NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h3-4H,2H2,1H3,(H,9,10)(H,11,12)/p-1
InChIKeyQTGMQKBCDNYHSK-UHFFFAOYSA-M
XLogP-0.70
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-6-oxo-1H-pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of 2-ethyl-6-oxo-1H-pyridine-4-carboxylate (CID 170847915) is 2-ethyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for 2-ethyl-6-oxo-1H-pyridine-4-carboxylate is CCc1cc(C(=O)[O-])cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is QTGMQKBCDNYHSK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h3-4H,2H2,1H3,(H,9,10)(H,11,12)/p-1.
What are the key properties of 2-ethyl-6-oxo-1H-pyridine-4-carboxylate?
2-ethyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 166.16 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 170847915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).