2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

C15H12N2O4 — CID 103997152

IUPAC2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1ccc[nH]c1=O)C2
InChIInChI=1S/C15H12N2O4/c18-13-12(2-1-5-16-13)14(19)17-7-10-4-3-9(15(20)21)6-11(10)8-17/h1-6H,7-8H2,(H,16,18)(H,20,21)
InChIKeyLJZKCUCZEMDUMB-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.23
Rot. Bonds2

About 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103997152) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103997152
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1ccc[nH]c1=O)C2
InChIInChI=1S/C15H12N2O4/c18-13-12(2-1-5-16-13)14(19)17-7-10-4-3-9(15(20)21)6-11(10)8-17/h1-6H,7-8H2,(H,16,18)(H,20,21)
InChIKeyLJZKCUCZEMDUMB-UHFFFAOYSA-N
XLogP1.23
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 25333485
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 38454222
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
2-(3-bromopyridine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107517250
2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997286
2-(1H-indole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68579752
2-(2-methylpyrazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997138
2-(3-methylfuran-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997302
2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997269
2-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095795
2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103997152) is 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CN(C(=O)c1ccc[nH]c1=O)C2.
What is the InChIKey of 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is LJZKCUCZEMDUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-13-12(2-1-5-16-13)14(19)17-7-10-4-3-9(15(20)21)6-11(10)8-17/h1-6H,7-8H2,(H,16,18)(H,20,21).
What are the key properties of 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103997152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).