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

C9H10BrN3O2 — CID 134512549

IUPAC7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one
SMILESCCOn1cc2c(=O)n(C)cc(Br)c2n1
InChIInChI=1S/C9H10BrN3O2/c1-3-15-13-4-6-8(11-13)7(10)5-12(2)9(6)14/h4-5H,3H2,1-2H3
InChIKeyBSDKYBSBOUTRPJ-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.95
Rot. Bonds2

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

7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one (PubChem CID 134512549) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one
PubChem CID134512549
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one
SMILESCCOn1cc2c(=O)n(C)cc(Br)c2n1
InChIInChI=1S/C9H10BrN3O2/c1-3-15-13-4-6-8(11-13)7(10)5-12(2)9(6)14/h4-5H,3H2,1-2H3
InChIKeyBSDKYBSBOUTRPJ-UHFFFAOYSA-N
XLogP0.95
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one (CID 134512549) is 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one is CCOn1cc2c(=O)n(C)cc(Br)c2n1.
What is the InChIKey of 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
The InChIKey is BSDKYBSBOUTRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-3-15-13-4-6-8(11-13)7(10)5-12(2)9(6)14/h4-5H,3H2,1-2H3.
What are the key properties of 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one?
7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one has a molecular weight of 272.10 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethoxy-5-methylpyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 134512549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).