5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid

C11H13NO5 — CID 79794956

IUPAC5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
SMILESCCOC(=O)C(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H13NO5/c1-3-16-11(15)7(2)17-8-4-5-9(10(13)14)12-6-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyKNANUKMMNQNMBL-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.11
Rot. Bonds5

About 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid

5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid (PubChem CID 79794956) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
PubChem CID79794956
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
SMILESCCOC(=O)C(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H13NO5/c1-3-16-11(15)7(2)17-8-4-5-9(10(13)14)12-6-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyKNANUKMMNQNMBL-UHFFFAOYSA-N
XLogP1.11
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 79794427
5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794863
5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
CID 79794520
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
5-(4-ethoxy-4-oxobutoxy)pyridine-2-carboxylic acid
CID 156739390
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
CID 59993707
CID 59993707

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid?
The IUPAC name of 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid (CID 79794956) is 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid is CCOC(=O)C(C)Oc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid?
The InChIKey is KNANUKMMNQNMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-3-16-11(15)7(2)17-8-4-5-9(10(13)14)12-6-8/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid?
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 79794956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).