ethyl 1-ethyl-2H-pyridine-4-carboxylate

C10H15NO2 — CID 70587292

IUPACethyl 1-ethyl-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CCN(CC)C=C1
InChIInChI=1S/C10H15NO2/c1-3-11-7-5-9(6-8-11)10(12)13-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyWRCQETNWEVHBGS-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.33
Rot. Bonds3

About ethyl 1-ethyl-2H-pyridine-4-carboxylate

ethyl 1-ethyl-2H-pyridine-4-carboxylate (PubChem CID 70587292) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 1-ethyl-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2H-pyridine-4-carboxylate
PubChem CID70587292
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 1-ethyl-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CCN(CC)C=C1
InChIInChI=1S/C10H15NO2/c1-3-11-7-5-9(6-8-11)10(12)13-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyWRCQETNWEVHBGS-UHFFFAOYSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2H-pyridine-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-2H-pyridine-4-carboxylate (CID 70587292) is ethyl 1-ethyl-2H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2H-pyridine-4-carboxylate is CCOC(=O)C1=CCN(CC)C=C1.
What is the InChIKey of ethyl 1-ethyl-2H-pyridine-4-carboxylate?
The InChIKey is WRCQETNWEVHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-11-7-5-9(6-8-11)10(12)13-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2H-pyridine-4-carboxylate?
ethyl 1-ethyl-2H-pyridine-4-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2H-pyridine-4-carboxylate is sourced from PubChem (CID 70587292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).