6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one

C7H6BrN3O — CID 137497777

IUPAC6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one
SMILESCn1[nH]c(=O)c2ncc(Br)cc21
InChIInChI=1S/C7H6BrN3O/c1-11-5-2-4(8)3-9-6(5)7(12)10-11/h2-3H,1H3,(H,10,12)
InChIKeyAVKHDMAONHBJJA-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.02
Rot. Bonds

About 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one

6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one (PubChem CID 137497777) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one.

Molecular Properties

Compound Name6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one
PubChem CID137497777
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one
SMILESCn1[nH]c(=O)c2ncc(Br)cc21
InChIInChI=1S/C7H6BrN3O/c1-11-5-2-4(8)3-9-6(5)7(12)10-11/h2-3H,1H3,(H,10,12)
InChIKeyAVKHDMAONHBJJA-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

Analyze 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one?
The IUPAC name of 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one (CID 137497777) is 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one.
What is the SMILES notation for 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one?
The canonical SMILES for 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one is Cn1[nH]c(=O)c2ncc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one?
The InChIKey is AVKHDMAONHBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-11-5-2-4(8)3-9-6(5)7(12)10-11/h2-3H,1H3,(H,10,12).
What are the key properties of 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one?
6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-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 6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one is sourced from PubChem (CID 137497777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).