2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid

C11H13NO6 — CID 171866199

IUPAC2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
SMILESCCOC(=O)C(O)C(O)c1ncccc1C(=O)O
InChIInChI=1S/C11H13NO6/c1-2-18-11(17)9(14)8(13)7-6(10(15)16)4-3-5-12-7/h3-5,8-9,13-14H,2H2,1H3,(H,15,16)
InChIKeyGYAALCBDQROKLP-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.26
Rot. Bonds5

About 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid

2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid (PubChem CID 171866199) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
PubChem CID171866199
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
SMILESCCOC(=O)C(O)C(O)c1ncccc1C(=O)O
InChIInChI=1S/C11H13NO6/c1-2-18-11(17)9(14)8(13)7-6(10(15)16)4-3-5-12-7/h3-5,8-9,13-14H,2H2,1H3,(H,15,16)
InChIKeyGYAALCBDQROKLP-UHFFFAOYSA-N
XLogP-0.26
TPSA116.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171881352
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
3-amino-2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)benzoic acid
CID 171866557
2-(2-cyano-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 171870325
2-(1-amino-2-hydroxyethyl)pyridine-3-carboxylic acid
CID 55293543
ethyl 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoate
CID 171867144
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171866282
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865781

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid (CID 171866199) is 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid is CCOC(=O)C(O)C(O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid?
The InChIKey is GYAALCBDQROKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-2-18-11(17)9(14)8(13)7-6(10(15)16)4-3-5-12-7/h3-5,8-9,13-14H,2H2,1H3,(H,15,16).
What are the key properties of 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid?
2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171866199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).