6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

C7H6ClN3O — CID 136898084

IUPAC6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCc1[nH]nc2[nH]c(Cl)cc(=O)c12
InChIInChI=1S/C7H6ClN3O/c1-3-6-4(12)2-5(8)9-7(6)11-10-3/h2H,1H3,(H2,9,10,11,12)
InChIKeyTZUREDZDXSWNSX-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.21
Rot. Bonds

About 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (PubChem CID 136898084) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
PubChem CID136898084
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCc1[nH]nc2[nH]c(Cl)cc(=O)c12
InChIInChI=1S/C7H6ClN3O/c1-3-6-4(12)2-5(8)9-7(6)11-10-3/h2H,1H3,(H2,9,10,11,12)
InChIKeyTZUREDZDXSWNSX-UHFFFAOYSA-N
XLogP1.21
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 137218174
1-amino-6-chloro-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135493837
5-Chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 135968105
5-Chloro-3-methyl-2,7-dihydropyrazolo[3,4-c]pyridazin-4-one
CID 13593377
N-(4-acetyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 66485156
1-[3-(dimethylamino)-5-methyl-1H-pyrazol-4-yl]ethanone
CID 130027904
5-Amino-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 136350704
3-Methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 137086393

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (CID 136898084) is 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is Cc1[nH]nc2[nH]c(Cl)cc(=O)c12.
What is the InChIKey of 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The InChIKey is TZUREDZDXSWNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-3-6-4(12)2-5(8)9-7(6)11-10-3/h2H,1H3,(H2,9,10,11,12).
What are the key properties of 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one has a molecular weight of 183.60 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 136898084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).