1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid

C15H13NO6 — CID 58067704

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2COc3ccccc3O2)cc(O)c1=O
InChIInChI=1S/C15H13NO6/c17-11-7-16(6-10(14(11)18)15(19)20)5-9-8-21-12-3-1-2-4-13(12)22-9/h1-4,6-7,9,17H,5,8H2,(H,19,20)
InChIKeyUNEBARDXFCIFQB-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.09
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067704) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067704
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2COc3ccccc3O2)cc(O)c1=O
InChIInChI=1S/C15H13NO6/c17-11-7-16(6-10(14(11)18)15(19)20)5-9-8-21-12-3-1-2-4-13(12)22-9/h1-4,6-7,9,17H,5,8H2,(H,19,20)
InChIKeyUNEBARDXFCIFQB-UHFFFAOYSA-N
XLogP1.09
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067700
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylimidazolidine-2,4,5-trione
CID 9375612
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
CID 43214838
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;oxalic acid
CID 11189142
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067704) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CC2COc3ccccc3O2)cc(O)c1=O.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is UNEBARDXFCIFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c17-11-7-16(6-10(14(11)18)15(19)20)5-9-8-21-12-3-1-2-4-13(12)22-9/h1-4,6-7,9,17H,5,8H2,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).