7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one

C8H8BrN3O2 — CID 134512104

IUPAC7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one
SMILESCOn1cc2c(=O)n(C)cc(Br)c2n1
InChIInChI=1S/C8H8BrN3O2/c1-11-4-6(9)7-5(8(11)13)3-12(10-7)14-2/h3-4H,1-2H3
InChIKeyGWRXAQZOSRFZOT-UHFFFAOYSA-N
MW258.07 g/mol
LogP0.56
Rot. Bonds1

About 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one

7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one (PubChem CID 134512104) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one
PubChem CID134512104
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one
SMILESCOn1cc2c(=O)n(C)cc(Br)c2n1
InChIInChI=1S/C8H8BrN3O2/c1-11-4-6(9)7-5(8(11)13)3-12(10-7)14-2/h3-4H,1-2H3
InChIKeyGWRXAQZOSRFZOT-UHFFFAOYSA-N
XLogP0.56
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one (CID 134512104) is 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one is COn1cc2c(=O)n(C)cc(Br)c2n1.
What is the InChIKey of 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
The InChIKey is GWRXAQZOSRFZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c1-11-4-6(9)7-5(8(11)13)3-12(10-7)14-2/h3-4H,1-2H3.
What are the key properties of 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one has a molecular weight of 258.07 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methoxy-5-methylpyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 134512104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).