3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid

C13H9N3O2 — CID 140814375

IUPAC3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccccc3)[nH]nc2n1
InChIInChI=1S/C13H9N3O2/c17-13(18)10-7-6-9-11(15-16-12(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,17,18)(H,14,15,16)
InChIKeySXBKIBIBOGZVBZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid

3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (PubChem CID 140814375) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
PubChem CID140814375
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccccc3)[nH]nc2n1
InChIInChI=1S/C13H9N3O2/c17-13(18)10-7-6-9-11(15-16-12(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,17,18)(H,14,15,16)
InChIKeySXBKIBIBOGZVBZ-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
3-cyclohexyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072894
3-phenyl-6-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018596
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 7061944
6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146036004
6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 15988335
3-(4-fluorophenyl)-6-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018590
3,6-Dimethyl-1-p-tolyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16019035

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (CID 140814375) is 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid is O=C(O)c1ccc2c(-c3ccccc3)[nH]nc2n1.
What is the InChIKey of 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The InChIKey is SXBKIBIBOGZVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)10-7-6-9-11(15-16-12(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,17,18)(H,14,15,16).
What are the key properties of 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 140814375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).