1-(5-bromo-1H-indazol-3-yl)ethanone

C9H7BrN2O — CID 67851770

IUPAC1-(5-bromo-1H-indazol-3-yl)ethanone
SMILESCC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H7BrN2O/c1-5(13)9-7-4-6(10)2-3-8(7)11-12-9/h2-4H,1H3,(H,11,12)
InChIKeyHOPFEUJFXKXWNN-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.53
Rot. Bonds1

About 1-(5-bromo-1H-indazol-3-yl)ethanone

1-(5-bromo-1H-indazol-3-yl)ethanone (PubChem CID 67851770) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 1-(5-bromo-1H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-1H-indazol-3-yl)ethanone
PubChem CID67851770
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name1-(5-bromo-1H-indazol-3-yl)ethanone
SMILESCC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H7BrN2O/c1-5(13)9-7-4-6(10)2-3-8(7)11-12-9/h2-4H,1H3,(H,11,12)
InChIKeyHOPFEUJFXKXWNN-UHFFFAOYSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indazol-3-yl)ethanone?
The IUPAC name of 1-(5-bromo-1H-indazol-3-yl)ethanone (CID 67851770) is 1-(5-bromo-1H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-1H-indazol-3-yl)ethanone?
The canonical SMILES for 1-(5-bromo-1H-indazol-3-yl)ethanone is CC(=O)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indazol-3-yl)ethanone?
The InChIKey is HOPFEUJFXKXWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5(13)9-7-4-6(10)2-3-8(7)11-12-9/h2-4H,1H3,(H,11,12).
What are the key properties of 1-(5-bromo-1H-indazol-3-yl)ethanone?
1-(5-bromo-1H-indazol-3-yl)ethanone has a molecular weight of 239.07 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indazol-3-yl)ethanone is sourced from PubChem (CID 67851770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).