ethyl 6-acetylpyridine-2-carboxylate

C10H11NO3 — CID 11586434

IUPACethyl 6-acetylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(C)=O)n1
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3
InChIKeyCOYXIUHSZNHMAS-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.46
Rot. Bonds3

About ethyl 6-acetylpyridine-2-carboxylate

ethyl 6-acetylpyridine-2-carboxylate (PubChem CID 11586434) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 6-acetylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetylpyridine-2-carboxylate
PubChem CID11586434
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 6-acetylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(C)=O)n1
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3
InChIKeyCOYXIUHSZNHMAS-UHFFFAOYSA-N
XLogP1.46
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-acetylpyridine-2-carboxylate (CID 11586434) is ethyl 6-acetylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-acetylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-acetylpyridine-2-carboxylate is CCOC(=O)c1cccc(C(C)=O)n1.
What is the InChIKey of ethyl 6-acetylpyridine-2-carboxylate?
The InChIKey is COYXIUHSZNHMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-acetylpyridine-2-carboxylate?
ethyl 6-acetylpyridine-2-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetylpyridine-2-carboxylate is sourced from PubChem (CID 11586434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).