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

C8H8BrN3O2 — CID 137277693

IUPAC7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCCOn1cc2c(=O)[nH]cc(Br)c2n1
InChIInChI=1S/C8H8BrN3O2/c1-2-14-12-4-5-7(11-12)6(9)3-10-8(5)13/h3-4H,2H2,1H3,(H,10,13)
InChIKeyXHUHYONGLIMUOY-UHFFFAOYSA-N
MW258.07 g/mol
LogP0.94
Rot. Bonds2

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

7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137277693) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137277693
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCCOn1cc2c(=O)[nH]cc(Br)c2n1
InChIInChI=1S/C8H8BrN3O2/c1-2-14-12-4-5-7(11-12)6(9)3-10-8(5)13/h3-4H,2H2,1H3,(H,10,13)
InChIKeyXHUHYONGLIMUOY-UHFFFAOYSA-N
XLogP0.94
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137277693) is 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one is CCOn1cc2c(=O)[nH]cc(Br)c2n1.
What is the InChIKey of 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is XHUHYONGLIMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c1-2-14-12-4-5-7(11-12)6(9)3-10-8(5)13/h3-4H,2H2,1H3,(H,10,13).
What are the key properties of 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one?
7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 258.07 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethoxy-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137277693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).