6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid

C15H10N2O4 — CID 63260234

IUPAC6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2C(=O)Cc3ccccc3C2=O)nc1
InChIInChI=1S/C15H10N2O4/c18-13-7-9-3-1-2-4-11(9)14(19)17(13)12-6-5-10(8-16-12)15(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyRGVPLIMEQBKJNR-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.51
Rot. Bonds2

About 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid

6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid (PubChem CID 63260234) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid
PubChem CID63260234
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2C(=O)Cc3ccccc3C2=O)nc1
InChIInChI=1S/C15H10N2O4/c18-13-7-9-3-1-2-4-11(9)14(19)17(13)12-6-5-10(8-16-12)15(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyRGVPLIMEQBKJNR-UHFFFAOYSA-N
XLogP1.51
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid (CID 63260234) is 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2C(=O)Cc3ccccc3C2=O)nc1.
What is the InChIKey of 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
The InChIKey is RGVPLIMEQBKJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-7-9-3-1-2-4-11(9)14(19)17(13)12-6-5-10(8-16-12)15(20)21/h1-6,8H,7H2,(H,20,21).
What are the key properties of 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid?
6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63260234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).