sodium ethyl 6-oxo-1H-pyridine-3-carboxylate

C8H9NNaO3+ — CID 54606839

IUPACsodium ethyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)[nH]c1.[Na+]
InChIInChI=1S/C8H9NO3.Na/c1-2-12-8(11)6-3-4-7(10)9-5-6;/h3-5H,2H2,1H3,(H,9,10);/q;+1
InChIKeyXPNUSJAZOQCPCB-UHFFFAOYSA-N
MW190.15 g/mol
LogP-2.44
Rot. Bonds2

About sodium ethyl 6-oxo-1H-pyridine-3-carboxylate

sodium ethyl 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 54606839) has the molecular formula C8H9NNaO3+ and a molecular weight of 190.15 g/mol. Its IUPAC name is sodium ethyl 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namesodium ethyl 6-oxo-1H-pyridine-3-carboxylate
PubChem CID54606839
Molecular FormulaC8H9NNaO3+
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Namesodium ethyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)[nH]c1.[Na+]
InChIInChI=1S/C8H9NO3.Na/c1-2-12-8(11)6-3-4-7(10)9-5-6;/h3-5H,2H2,1H3,(H,9,10);/q;+1
InChIKeyXPNUSJAZOQCPCB-UHFFFAOYSA-N
XLogP-2.44
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium ethyl 6-oxo-1H-pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

octyl 6-oxo-1H-pyridine-3-carboxylate
CID 139746456
ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
CID 122358497
(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate
CID 47143064
ethyl 6-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 47025638
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-aminobenzoate
CID 2337
ethyl 5-acetyl-1H-pyrrole-3-carboxylate
CID 58465732

Frequently Asked Questions

What is the IUPAC name of sodium ethyl 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of sodium ethyl 6-oxo-1H-pyridine-3-carboxylate (CID 54606839) is sodium ethyl 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for sodium ethyl 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for sodium ethyl 6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1ccc(=O)[nH]c1.[Na+].
What is the InChIKey of sodium ethyl 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XPNUSJAZOQCPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.Na/c1-2-12-8(11)6-3-4-7(10)9-5-6;/h3-5H,2H2,1H3,(H,9,10);/q;+1.
What are the key properties of sodium ethyl 6-oxo-1H-pyridine-3-carboxylate?
sodium ethyl 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 190.15 g/mol, XLogP of -2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54606839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).