5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one

C7H6BrN3O — CID 67198693

IUPAC5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1c(=O)c(Br)cc2cn[nH]c21
InChIInChI=1S/C7H6BrN3O/c1-11-6-4(3-9-10-6)2-5(8)7(11)12/h2-3H,1H3,(H,9,10)
InChIKeyJDTZRZNPROLRNA-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.02
Rot. Bonds

About 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one

5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 67198693) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID67198693
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1c(=O)c(Br)cc2cn[nH]c21
InChIInChI=1S/C7H6BrN3O/c1-11-6-4(3-9-10-6)2-5(8)7(11)12/h2-3H,1H3,(H,9,10)
InChIKeyJDTZRZNPROLRNA-UHFFFAOYSA-N
XLogP1.02
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one (CID 67198693) is 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one is Cn1c(=O)c(Br)cc2cn[nH]c21.
What is the InChIKey of 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JDTZRZNPROLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-11-6-4(3-9-10-6)2-5(8)7(11)12/h2-3H,1H3,(H,9,10).
What are the key properties of 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one?
5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 228.05 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-1H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 67198693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).