[2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate

C16H15NO5 — CID 2637630

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccn2)c(OC)c1
InChIInChI=1S/C16H15NO5/c1-20-11-6-7-12(15(9-11)21-2)14(18)10-22-16(19)13-5-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyNOELEYHJHYLVDC-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.14
Rot. Bonds6

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2637630) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2637630
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccn2)c(OC)c1
InChIInChI=1S/C16H15NO5/c1-20-11-6-7-12(15(9-11)21-2)14(18)10-22-16(19)13-5-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyNOELEYHJHYLVDC-UHFFFAOYSA-N
XLogP2.14
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
Dilmefone
CID 6445006
N'-{[(2,4-dimethoxyphenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9646561
1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone
CID 49869549
1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
CID 49869550
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2363580
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2637980
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate
CID 3656970
SM 15178
CID 3081307
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 25128776
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-pyridin-4-ylprop-2-en-1-one
CID 25133922

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate (CID 2637630) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate is COc1ccc(C(=O)COC(=O)c2ccccn2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is NOELEYHJHYLVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-11-6-7-12(15(9-11)21-2)14(18)10-22-16(19)13-5-3-4-8-17-13/h3-9H,10H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2637630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).