ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate

C12H19NO3 — CID 144564470

IUPACethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate
SMILESCC.CCc1cccc(=O)n1CC(=O)OC
InChIInChI=1S/C10H13NO3.C2H6/c1-3-8-5-4-6-9(12)11(8)7-10(13)14-2;1-2/h4-6H,3,7H2,1-2H3;1-2H3
InChIKeyYWYBEURLYRSQAH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.61
Rot. Bonds3

About ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate

ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate (PubChem CID 144564470) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate
PubChem CID144564470
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate
SMILESCC.CCc1cccc(=O)n1CC(=O)OC
InChIInChI=1S/C10H13NO3.C2H6/c1-3-8-5-4-6-9(12)11(8)7-10(13)14-2;1-2/h4-6H,3,7H2,1-2H3;1-2H3
InChIKeyYWYBEURLYRSQAH-UHFFFAOYSA-N
XLogP1.61
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate?
The IUPAC name of ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate (CID 144564470) is ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate is CC.CCc1cccc(=O)n1CC(=O)OC.
What is the InChIKey of ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate?
The InChIKey is YWYBEURLYRSQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C2H6/c1-3-8-5-4-6-9(12)11(8)7-10(13)14-2;1-2/h4-6H,3,7H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate?
ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate has a molecular weight of 225.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 144564470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).