5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid

C15H13N3O4 — CID 71284551

IUPAC5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3cc[nH]c3n2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H13N3O4/c1-2-8-11(18-14(20)10(12(8)19)15(21)22)9-4-3-7-5-6-16-13(7)17-9/h3-6H,2H2,1H3,(H,16,17)(H,21,22)(H2,18,19,20)
InChIKeyDZDJPQAYTXKIIC-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.88
Rot. Bonds3

About 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 71284551) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid
PubChem CID71284551
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3cc[nH]c3n2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H13N3O4/c1-2-8-11(18-14(20)10(12(8)19)15(21)22)9-4-3-7-5-6-16-13(7)17-9/h3-6H,2H2,1H3,(H,16,17)(H,21,22)(H2,18,19,20)
InChIKeyDZDJPQAYTXKIIC-UHFFFAOYSA-N
XLogP1.88
TPSA119.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid (CID 71284551) is 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3cc[nH]c3n2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid?
The InChIKey is DZDJPQAYTXKIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-2-8-11(18-14(20)10(12(8)19)15(21)22)9-4-3-7-5-6-16-13(7)17-9/h3-6H,2H2,1H3,(H,16,17)(H,21,22)(H2,18,19,20).
What are the key properties of 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).