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

C6H4BrN3O — CID 141228624

IUPAC1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1cnn2Br
InChIInChI=1S/C6H4BrN3O/c7-10-6-4(3-9-10)5(11)1-2-8-6/h1-3H,(H,8,11)
InChIKeyUKOVKXKXZKIUIF-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.88
Rot. Bonds

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

1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 141228624) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID141228624
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1cnn2Br
InChIInChI=1S/C6H4BrN3O/c7-10-6-4(3-9-10)5(11)1-2-8-6/h1-3H,(H,8,11)
InChIKeyUKOVKXKXZKIUIF-UHFFFAOYSA-N
XLogP0.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one (CID 141228624) is 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one is O=c1cc[nH]c2c1cnn2Br.
What is the InChIKey of 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is UKOVKXKXZKIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-10-6-4(3-9-10)5(11)1-2-8-6/h1-3H,(H,8,11).
What are the key properties of 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one?
1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 214.02 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 141228624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).