Ethyl Nicotinate

AlkaPlorer ID: AK003706

Synonym: None

IUPAC Name: ethyl pyridine-3-carboxylate

Structure

SMILES: CCOC(=O)C1=CC=CN=C1

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InChI: InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3

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InChIKey: XBLVHTDFJBKJLG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Areca catechu Areca Arecaceae Arecales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 151.16499999999996

TPSA: 39.19

MolLogP: 1.2583

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Thrips obscuratus Thrips obscuratus MAD 1.0 10'-6microL 10.1021/jf800863t
Thrips obscuratus Thrips obscuratus Ratio 84.8 None 10.1021/jf070389a
Thrips obscuratus Thrips obscuratus Ratio 157.6 None 10.1021/jf070389a
Thrips tabaci Thrips tabaci Ratio 3.1 None 10.1021/jf070389a

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009698 CCO.O=C(O)c1cccnc1>>CCOC(=O)c1cccnc1 enzymemap_76804
AKRT009743 CCOC(=O)c1cccnc1>>CCO enzymemap_76801
AKRT009744 CCOC(=O)c1cccnc1>>CCO.O=C(O)c1cccnc1 None
AKRT009745 CCOC(=O)c1cccnc1>>O=C(O)c1cccnc1 enzymemap_76801