6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid

C13H7Cl2N3O3 — CID 62365907

IUPAC6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2Cl)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C13H7Cl2N3O3/c14-5-1-2-8(15)6(3-5)9-4-7(13(20)21)10-11(16-9)17-18-12(10)19/h1-4H,(H,20,21)(H2,16,17,18,19)
InChIKeyVIJOOBUIWDFHFS-UHFFFAOYSA-N
MW324.12 g/mol
LogP2.92
Rot. Bonds2

About 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 62365907) has the molecular formula C13H7Cl2N3O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID62365907
Molecular FormulaC13H7Cl2N3O3
Molecular Weight324.12 g/mol
Exact Mass322.99
IUPAC Name6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2Cl)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C13H7Cl2N3O3/c14-5-1-2-8(15)6(3-5)9-4-7(13(20)21)10-11(16-9)17-18-12(10)19/h1-4H,(H,20,21)(H2,16,17,18,19)
InChIKeyVIJOOBUIWDFHFS-UHFFFAOYSA-N
XLogP2.92
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-chlorothiophen-2-yl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62366086
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
CID 118841905
2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118813640
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 115384598
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
[2-chloro-6-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119006954
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 62365907) is 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)ccc2Cl)nc2[nH][nH]c(=O)c12.
What is the InChIKey of 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is VIJOOBUIWDFHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O3/c14-5-1-2-8(15)6(3-5)9-4-7(13(20)21)10-11(16-9)17-18-12(10)19/h1-4H,(H,20,21)(H2,16,17,18,19).
What are the key properties of 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 324.12 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 62365907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).