ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate

C16H15NO4 — CID 71668879

IUPACethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H15NO4/c1-3-20-16(19)13-7-8-17-15(10-13)21-14-6-4-5-12(9-14)11(2)18/h4-10H,3H2,1-2H3
InChIKeySBKOGHCANKXQHW-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate

ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate (PubChem CID 71668879) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
PubChem CID71668879
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H15NO4/c1-3-20-16(19)13-7-8-17-15(10-13)21-14-6-4-5-12(9-14)11(2)18/h4-10H,3H2,1-2H3
InChIKeySBKOGHCANKXQHW-UHFFFAOYSA-N
XLogP3.25
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832
ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
CID 168522708
ethyl 2-(3-azidophenoxy)pyridine-4-carboxylate
CID 169325853
ethyl 3-acetylbenzoate
CID 11298463
ethyl 2-[3-[(1-amino-2-chloroethylidene)amino]phenoxy]pyridine-4-carboxylate
CID 169368008
ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate
CID 168527232
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate
CID 169325893
ethyl 2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenoxy]pyridine-4-carboxylate
CID 169329828
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
CID 86669549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate (CID 71668879) is ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate is CCOC(=O)c1ccnc(Oc2cccc(C(C)=O)c2)c1.
What is the InChIKey of ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate?
The InChIKey is SBKOGHCANKXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-20-16(19)13-7-8-17-15(10-13)21-14-6-4-5-12(9-14)11(2)18/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate?
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 71668879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).