ethyl pyridine-2-carboxylate

C8H9NO2 — CID 17307

IUPACethyl pyridine-2-carboxylate
SMILESCCOC(=O)c1ccccn1
InChIInChI=1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyFQYYIPZPELSLDK-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.26
Rot. Bonds2

About ethyl pyridine-2-carboxylate

ethyl pyridine-2-carboxylate (PubChem CID 17307) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is ethyl pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl pyridine-2-carboxylate
PubChem CID17307
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Nameethyl pyridine-2-carboxylate
SMILESCCOC(=O)c1ccccn1
InChIInChI=1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyFQYYIPZPELSLDK-UHFFFAOYSA-N
XLogP1.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
2-methylpentyl pyridine-2-carboxylate
CID 150671770
[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 7866588
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
ethyl 4-(pyridine-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 168911940
2-acetamidoethyl pyridine-2-carboxylate
CID 141131382
diethyl 2-(2-pyridin-2-ylprop-2-enoyl)propanedioate
CID 89130402
1-aminobutyl pyridine-2-carboxylate
CID 174954272
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
1-aminoethyl pyridine-2-carboxylate
CID 141264689

Frequently Asked Questions

What is the IUPAC name of ethyl pyridine-2-carboxylate?
The IUPAC name of ethyl pyridine-2-carboxylate (CID 17307) is ethyl pyridine-2-carboxylate.
What is the SMILES notation for ethyl pyridine-2-carboxylate?
The canonical SMILES for ethyl pyridine-2-carboxylate is CCOC(=O)c1ccccn1.
What is the InChIKey of ethyl pyridine-2-carboxylate?
The InChIKey is FQYYIPZPELSLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3.
What are the key properties of ethyl pyridine-2-carboxylate?
ethyl pyridine-2-carboxylate has a molecular weight of 151.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyridine-2-carboxylate is sourced from PubChem (CID 17307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).