ethyl 2,3-dihydropyridine-5-carboxylate

C8H11NO2 — CID 142881650

IUPACethyl 2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCCN=C1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,6H,2-3,5H2,1H3
InChIKeyNTVYXUQXHBBWAQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds2

About ethyl 2,3-dihydropyridine-5-carboxylate

ethyl 2,3-dihydropyridine-5-carboxylate (PubChem CID 142881650) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydropyridine-5-carboxylate
PubChem CID142881650
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCCN=C1
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,6H,2-3,5H2,1H3
InChIKeyNTVYXUQXHBBWAQ-UHFFFAOYSA-N
XLogP0.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-fluoro-2,3-dihydropyridine-5-carboxylate
CID 123599641
methyl 3-fluoro-2-oxo-3H-pyridine-5-carboxylate
CID 73194887
5-O-methyl 3-O-propan-2-yl 2,3-dihydropyridine-3,5-dicarboxylate
CID 53915609
methyl 2-oxo-3H-pyridine-5-carboxylate
CID 56978156
methyl 2-sulfanylidene-3H-pyridine-5-carboxylate
CID 57131203
ethyl 2-oxo-3H-pyridine-5-carboxylate
CID 57196018
ethyl 2-sulfanylidene-3H-pyridine-5-carboxylate
CID 57204817
ethyl 2H-pyrrole-4-carboxylate
CID 58081160
Methyl 2-methyl-2,3-dihydropyridine-5-carboxylate
CID 68203851
Ethyl 2-chloro-2,3-dihydropyridine-5-carboxylate
CID 89185977
methyl (3Z)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyridine-5-carboxylate
CID 90005211
Methyl 2-amino-2,3-dihydropyridine-5-carboxylate
CID 90963851

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 2,3-dihydropyridine-5-carboxylate (CID 142881650) is ethyl 2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 2,3-dihydropyridine-5-carboxylate is CCOC(=O)C1=CCCN=C1.
What is the InChIKey of ethyl 2,3-dihydropyridine-5-carboxylate?
The InChIKey is NTVYXUQXHBBWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,6H,2-3,5H2,1H3.
What are the key properties of ethyl 2,3-dihydropyridine-5-carboxylate?
ethyl 2,3-dihydropyridine-5-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 142881650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).