ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate

C11H15NO4 — CID 101491148

IUPACethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate
SMILESCCCn1ccc(O)c(C(=O)OCC)c1=O
InChIInChI=1S/C11H15NO4/c1-3-6-12-7-5-8(13)9(10(12)14)11(15)16-4-2/h5,7,13H,3-4,6H2,1-2H3
InChIKeyHYUJYBWKVFNNIH-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.14
Rot. Bonds4

About ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate

ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate (PubChem CID 101491148) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate
PubChem CID101491148
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate
SMILESCCCn1ccc(O)c(C(=O)OCC)c1=O
InChIInChI=1S/C11H15NO4/c1-3-6-12-7-5-8(13)9(10(12)14)11(15)16-4-2/h5,7,13H,3-4,6H2,1-2H3
InChIKeyHYUJYBWKVFNNIH-UHFFFAOYSA-N
XLogP1.14
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
CID 118948928
ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
CID 58307485
ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate
CID 70178605
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide
CID 89384903
ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate
CID 44549790
ethyl 3-butoxy-1-(2-butoxyethyl)-2-oxopyridine-4-carboxylate
CID 118016887
ethyl 2-(bromomethyl)-6-hydroxybenzoate
CID 69031020
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethyl 2,6,8-trimethyl-1-oxoisoquinoline-7-carboxylate
CID 10978168
ethyl 2-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66412680

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate (CID 101491148) is ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate is CCCn1ccc(O)c(C(=O)OCC)c1=O.
What is the InChIKey of ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate?
The InChIKey is HYUJYBWKVFNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-6-12-7-5-8(13)9(10(12)14)11(15)16-4-2/h5,7,13H,3-4,6H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate?
ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate is sourced from PubChem (CID 101491148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).