6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C12H8ClN3O — CID 100818556

IUPAC6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C12H8ClN3O/c13-8-3-1-7(2-4-8)10-6-5-9-11(14-10)15-16-12(9)17/h1-6H,(H2,14,15,16,17)
InChIKeyWOLLNYYTKFOZOI-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.57
Rot. Bonds1

About 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 100818556) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID100818556
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C12H8ClN3O/c13-8-3-1-7(2-4-8)10-6-5-9-11(14-10)15-16-12(9)17/h1-6H,(H2,14,15,16,17)
InChIKeyWOLLNYYTKFOZOI-UHFFFAOYSA-N
XLogP2.57
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Dimethyl-1,2-dihydro-3h-pyrazolo[3,4-b]pyridin-3-one
CID 230045
6-methyl-2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 879917
4-chloro-N'-(6-chloropyridin-2-yl)-N'-methylbenzohydrazide
CID 1482390
2,4-dichloro-N'-(6-chloro-2-pyridinyl)benzenecarbohydrazide
CID 1482435
6-tert-Butyl-4-methyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 624592
4,6-Dimethyl-2-phenyl-2H-pyrazolo[3,4-b]pyridin-3-ol
CID 712750
4-methyl-2,6-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 2355650
4-(4-chlorophenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 16422895
6-methyl-4-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 824807
10-(4-Chlorophenyl)-12-phenyl-2,4,5,7,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,10,12-pentaen-8-one
CID 53304800
10-(4-Chlorophenyl)-12-phenyl-6-sulfanylidene-2,4,5,7,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
CID 53304948
10-(4-Chlorophenyl)-6-methyl-12-phenyl-2,4,5,7,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,10,12-pentaen-8-one
CID 53304950

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 100818556) is 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is O=c1[nH][nH]c2nc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is WOLLNYYTKFOZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-3-1-7(2-4-8)10-6-5-9-11(14-10)15-16-12(9)17/h1-6H,(H2,14,15,16,17).
What are the key properties of 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 245.67 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 100818556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).