2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate

C16H12N2O4 — CID 4273362

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C16H12N2O4/c19-14-11-5-1-2-6-12(11)15(20)18(14)9-10-22-16(21)13-7-3-4-8-17-13/h1-8H,9-10H2
InChIKeyBCDZVWKRMBCZHC-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.53
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate (PubChem CID 4273362) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate
PubChem CID4273362
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C16H12N2O4/c19-14-11-5-1-2-6-12(11)15(20)18(14)9-10-22-16(21)13-7-3-4-8-17-13/h1-8H,9-10H2
InChIKeyBCDZVWKRMBCZHC-UHFFFAOYSA-N
XLogP1.53
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[2-(3-Acetylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088687
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2452809
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
ethyl {3-hydroxy-2-oxo-3-[2-oxo-2-(pyridin-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate
CID 2927588
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-3-carboxylate
CID 54589418
[3-(1,3-Dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyridine-4-carboxylate
CID 57392768
(1R)-1'-{[1-(6-Phenylpyridin-3-yl)cyclopropyl]carbonyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one
CID 66662296
Ethyl isoquinolin-3-carboxylate
CID 11435602
methyl 3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzoate
CID 659788
Pyridine-2-carboxylic acid benzylcarbamoyl-methyl ester
CID 2351947
ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate
CID 4713448
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4783829

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate (CID 4273362) is 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate is O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccn1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate?
The InChIKey is BCDZVWKRMBCZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-11-5-1-2-6-12(11)15(20)18(14)9-10-22-16(21)13-7-3-4-8-17-13/h1-8H,9-10H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl pyridine-2-carboxylate is sourced from PubChem (CID 4273362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).