ethyl 1-ethyl-6-oxopyridine-3-carboxylate

C10H13NO3 — CID 12633570

IUPACethyl 1-ethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(CC)c1
InChIInChI=1S/C10H13NO3/c1-3-11-7-8(5-6-9(11)12)10(13)14-4-2/h5-7H,3-4H2,1-2H3
InChIKeyOUTABYXGOLHATA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.04
Rot. Bonds3

About ethyl 1-ethyl-6-oxopyridine-3-carboxylate

ethyl 1-ethyl-6-oxopyridine-3-carboxylate (PubChem CID 12633570) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 1-ethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-oxopyridine-3-carboxylate
PubChem CID12633570
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 1-ethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(CC)c1
InChIInChI=1S/C10H13NO3/c1-3-11-7-8(5-6-9(11)12)10(13)14-4-2/h5-7H,3-4H2,1-2H3
InChIKeyOUTABYXGOLHATA-UHFFFAOYSA-N
XLogP1.04
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-oxopyridine-3-carboxylate (CID 12633570) is ethyl 1-ethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(=O)n(CC)c1.
What is the InChIKey of ethyl 1-ethyl-6-oxopyridine-3-carboxylate?
The InChIKey is OUTABYXGOLHATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-11-7-8(5-6-9(11)12)10(13)14-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-6-oxopyridine-3-carboxylate?
ethyl 1-ethyl-6-oxopyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 12633570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).