3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine

C12H8ClN3 — CID 91667303

IUPAC3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESClc1ccccc1-c1[nH]nc2ncccc12
InChIInChI=1S/C12H8ClN3/c13-10-6-2-1-4-8(10)11-9-5-3-7-14-12(9)16-15-11/h1-7H,(H,14,15,16)
InChIKeyBINTZZCWOYANDV-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

About 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine

3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 91667303) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID91667303
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESClc1ccccc1-c1[nH]nc2ncccc12
InChIInChI=1S/C12H8ClN3/c13-10-6-2-1-4-8(10)11-9-5-3-7-14-12(9)16-15-11/h1-7H,(H,14,15,16)
InChIKeyBINTZZCWOYANDV-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine (CID 91667303) is 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine is Clc1ccccc1-c1[nH]nc2ncccc12.
What is the InChIKey of 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BINTZZCWOYANDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-10-6-2-1-4-8(10)11-9-5-3-7-14-12(9)16-15-11/h1-7H,(H,14,15,16).
What are the key properties of 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine?
3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 91667303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).