6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid

C14H10N2O3 — CID 82381629

IUPAC6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)cc(-c2ccc3cc[nH]c3c2)[nH]1
InChIInChI=1S/C14H10N2O3/c17-10-6-12(16-13(7-10)14(18)19)9-2-1-8-3-4-15-11(8)5-9/h1-7,15H,(H,16,17)(H,18,19)
InChIKeyIJYJPAXJSHPYPE-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.22
Rot. Bonds2

About 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid

6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 82381629) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID82381629
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)cc(-c2ccc3cc[nH]c3c2)[nH]1
InChIInChI=1S/C14H10N2O3/c17-10-6-12(16-13(7-10)14(18)19)9-2-1-8-3-4-15-11(8)5-9/h1-7,15H,(H,16,17)(H,18,19)
InChIKeyIJYJPAXJSHPYPE-UHFFFAOYSA-N
XLogP2.22
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid (CID 82381629) is 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(=O)cc(-c2ccc3cc[nH]c3c2)[nH]1.
What is the InChIKey of 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is IJYJPAXJSHPYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-10-6-12(16-13(7-10)14(18)19)9-2-1-8-3-4-15-11(8)5-9/h1-7,15H,(H,16,17)(H,18,19).
What are the key properties of 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-6-yl)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 82381629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).