diethyl 5-propylpyridine-2,3-dicarboxylate

C14H19NO4 — CID 14097634

IUPACdiethyl 5-propylpyridine-2,3-dicarboxylate
SMILESCCCc1cnc(C(=O)OCC)c(C(=O)OCC)c1
InChIInChI=1S/C14H19NO4/c1-4-7-10-8-11(13(16)18-5-2)12(15-9-10)14(17)19-6-3/h8-9H,4-7H2,1-3H3
InChIKeyHXIKIUMJSDTHDB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.39
Rot. Bonds6

About diethyl 5-propylpyridine-2,3-dicarboxylate

diethyl 5-propylpyridine-2,3-dicarboxylate (PubChem CID 14097634) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is diethyl 5-propylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-propylpyridine-2,3-dicarboxylate
PubChem CID14097634
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namediethyl 5-propylpyridine-2,3-dicarboxylate
SMILESCCCc1cnc(C(=O)OCC)c(C(=O)OCC)c1
InChIInChI=1S/C14H19NO4/c1-4-7-10-8-11(13(16)18-5-2)12(15-9-10)14(17)19-6-3/h8-9H,4-7H2,1-3H3
InChIKeyHXIKIUMJSDTHDB-UHFFFAOYSA-N
XLogP2.39
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
ethyl 2-tert-butyl-5-ethylpyridine-3-carboxylate
CID 116533791
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 42637769
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
diethyl 5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]pyridine-2,3-dicarboxylate
CID 139788524
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054

Frequently Asked Questions

What is the IUPAC name of diethyl 5-propylpyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 5-propylpyridine-2,3-dicarboxylate (CID 14097634) is diethyl 5-propylpyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-propylpyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-propylpyridine-2,3-dicarboxylate is CCCc1cnc(C(=O)OCC)c(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-propylpyridine-2,3-dicarboxylate?
The InChIKey is HXIKIUMJSDTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-7-10-8-11(13(16)18-5-2)12(15-9-10)14(17)19-6-3/h8-9H,4-7H2,1-3H3.
What are the key properties of diethyl 5-propylpyridine-2,3-dicarboxylate?
diethyl 5-propylpyridine-2,3-dicarboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-propylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 14097634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).