ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate

C10H13NO3 — CID 2785599

IUPACethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)[nH]c1C
InChIInChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)5-8(12)11-7(9)3/h5H,4H2,1-3H3,(H,11,12)
InChIKeyXIRRHMRGKFDBIA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.17
Rot. Bonds2

About ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 2785599) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID2785599
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)[nH]c1C
InChIInChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)5-8(12)11-7(9)3/h5H,4H2,1-3H3,(H,11,12)
InChIKeyXIRRHMRGKFDBIA-UHFFFAOYSA-N
XLogP1.17
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate (CID 2785599) is ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)[nH]c1C.
What is the InChIKey of ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XIRRHMRGKFDBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)5-8(12)11-7(9)3/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2785599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).