4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C15H12N2O4 — CID 71284807

IUPAC4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H12N2O4/c1-7-12(17-14(19)11(13(7)18)15(20)21)9-2-3-10-8(6-9)4-5-16-10/h2-6,16H,1H3,(H,20,21)(H2,17,18,19)
InChIKeyBBCPTKSOLMYKFF-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.24
Rot. Bonds2

About 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284807) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284807
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H12N2O4/c1-7-12(17-14(19)11(13(7)18)15(20)21)9-2-3-10-8(6-9)4-5-16-10/h2-6,16H,1H3,(H,20,21)(H2,17,18,19)
InChIKeyBBCPTKSOLMYKFF-UHFFFAOYSA-N
XLogP2.24
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284807) is 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is BBCPTKSOLMYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-7-12(17-14(19)11(13(7)18)15(20)21)9-2-3-10-8(6-9)4-5-16-10/h2-6,16H,1H3,(H,20,21)(H2,17,18,19).
What are the key properties of 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).