4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid

C13H9N3O3 — CID 82482166

IUPAC4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
SMILESO=C1Cc2cc(-c3ncncc3C(=O)O)ccc2N1
InChIInChI=1S/C13H9N3O3/c17-11-4-8-3-7(1-2-10(8)16-11)12-9(13(18)19)5-14-6-15-12/h1-3,5-6H,4H2,(H,16,17)(H,18,19)
InChIKeyXWARJPDMYKJOCV-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.34
Rot. Bonds2

About 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid

4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid (PubChem CID 82482166) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
PubChem CID82482166
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
SMILESO=C1Cc2cc(-c3ncncc3C(=O)O)ccc2N1
InChIInChI=1S/C13H9N3O3/c17-11-4-8-3-7(1-2-10(8)16-11)12-9(13(18)19)5-14-6-15-12/h1-3,5-6H,4H2,(H,16,17)(H,18,19)
InChIKeyXWARJPDMYKJOCV-UHFFFAOYSA-N
XLogP1.34
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
CID 82293565
3-(2-oxo-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 175778528
4-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 58828782
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
CID 146216092
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
CID 166364586
4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116866952
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
CID 83697515
2-[5-(2-oxo-1,3-dihydroindol-5-yl)-1,2-oxazol-3-yl]acetic acid
CID 82483292

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid (CID 82482166) is 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid is O=C1Cc2cc(-c3ncncc3C(=O)O)ccc2N1.
What is the InChIKey of 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid?
The InChIKey is XWARJPDMYKJOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-11-4-8-3-7(1-2-10(8)16-11)12-9(13(18)19)5-14-6-15-12/h1-3,5-6H,4H2,(H,16,17)(H,18,19).
What are the key properties of 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid?
4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82482166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).