ethyl 2,3-diethyl-4H-pyridine-1-carboxylate

C12H19NO2 — CID 57136732

IUPACethyl 2,3-diethyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCC(CC)=C1CC
InChIInChI=1S/C12H19NO2/c1-4-10-8-7-9-13(11(10)5-2)12(14)15-6-3/h7,9H,4-6,8H2,1-3H3
InChIKeyJRTQUSDJXWHWBY-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.44
Rot. Bonds3

About ethyl 2,3-diethyl-4H-pyridine-1-carboxylate

ethyl 2,3-diethyl-4H-pyridine-1-carboxylate (PubChem CID 57136732) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 2,3-diethyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-diethyl-4H-pyridine-1-carboxylate
PubChem CID57136732
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 2,3-diethyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCC(CC)=C1CC
InChIInChI=1S/C12H19NO2/c1-4-10-8-7-9-13(11(10)5-2)12(14)15-6-3/h7,9H,4-6,8H2,1-3H3
InChIKeyJRTQUSDJXWHWBY-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101149477
Ethyl 2,5-ditert-butylazepine-1-carboxylate
CID 134915596
ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate
CID 135075389
Ethyl 2-propan-2-ylazepine-1-carboxylate
CID 21821812
ethyl 2-methyl-4H-pyridine-1-carboxylate
CID 13191056
ethyl 4-tert-butyl-2,3-dimethyl-1(4H)-pyridinecarboxylate
CID 21295837
(1-ethoxycarbonyl-2,3-diethyl-4H-pyridin-4-yl)phosphonic acid
CID 67762432
(1-ethoxycarbonyl-2,3-diethyl-4H-pyridin-4-yl)-hydroxy-oxophosphanium
CID 67873718
butyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 68024234
Tert-butyl 4-pentylidene-2,3-dihydropyridine-1-carboxylate
CID 69056441
ethyl 2,3,4-trimethyl-l (4H)-pyridinecarboxylate
CID 86742392
Ethyl cyclopenta[g]quinoline-1-carboxylate
CID 88206901

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-diethyl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2,3-diethyl-4H-pyridine-1-carboxylate (CID 57136732) is ethyl 2,3-diethyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2,3-diethyl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2,3-diethyl-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CCC(CC)=C1CC.
What is the InChIKey of ethyl 2,3-diethyl-4H-pyridine-1-carboxylate?
The InChIKey is JRTQUSDJXWHWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-10-8-7-9-13(11(10)5-2)12(14)15-6-3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2,3-diethyl-4H-pyridine-1-carboxylate?
ethyl 2,3-diethyl-4H-pyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diethyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 57136732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).