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

C12H8ClN3 — CID 86638762

IUPAC6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine
SMILESClc1ccc2c(-c3ccccc3)[nH]nc2n1
InChIInChI=1S/C12H8ClN3/c13-10-7-6-9-11(15-16-12(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,14,15,16)
InChIKeyNKONNYFAHXPZOS-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

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

6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 86638762) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine
PubChem CID86638762
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine
SMILESClc1ccc2c(-c3ccccc3)[nH]nc2n1
InChIInChI=1S/C12H8ClN3/c13-10-7-6-9-11(15-16-12(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,14,15,16)
InChIKeyNKONNYFAHXPZOS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine (CID 86638762) is 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine is Clc1ccc2c(-c3ccccc3)[nH]nc2n1.
What is the InChIKey of 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NKONNYFAHXPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-10-7-6-9-11(15-16-12(9)14-10)8-4-2-1-3-5-8/h1-7H,(H,14,15,16).
What are the key properties of 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine?
6-chloro-3-phenyl-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 6-chloro-3-phenyl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 86638762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).