1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one

C12H8ClN3O — CID 1483570

IUPAC1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH]n(-c2cccc(Cl)c2)c2ncccc12
InChIInChI=1S/C12H8ClN3O/c13-8-3-1-4-9(7-8)16-11-10(12(17)15-16)5-2-6-14-11/h1-7H,(H,15,17)
InChIKeyYGKIIOPVSTWANY-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.37
Rot. Bonds1

About 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one

1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 1483570) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID1483570
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH]n(-c2cccc(Cl)c2)c2ncccc12
InChIInChI=1S/C12H8ClN3O/c13-8-3-1-4-9(7-8)16-11-10(12(17)15-16)5-2-6-14-11/h1-7H,(H,15,17)
InChIKeyYGKIIOPVSTWANY-UHFFFAOYSA-N
XLogP2.37
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one (CID 1483570) is 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one is O=c1[nH]n(-c2cccc(Cl)c2)c2ncccc12.
What is the InChIKey of 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is YGKIIOPVSTWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-3-1-4-9(7-8)16-11-10(12(17)15-16)5-2-6-14-11/h1-7H,(H,15,17).
What are the key properties of 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 245.67 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 1483570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).