1-(5-bromo-1-methylindazol-3-yl)ethanone

C10H9BrN2O — CID 82623224

IUPAC1-(5-bromo-1-methylindazol-3-yl)ethanone
SMILESCC(=O)c1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O/c1-6(14)10-8-5-7(11)3-4-9(8)13(2)12-10/h3-5H,1-2H3
InChIKeyIUWDIOJWXRNUJY-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.54
Rot. Bonds1

About 1-(5-bromo-1-methylindazol-3-yl)ethanone

1-(5-bromo-1-methylindazol-3-yl)ethanone (PubChem CID 82623224) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 1-(5-bromo-1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-1-methylindazol-3-yl)ethanone
PubChem CID82623224
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name1-(5-bromo-1-methylindazol-3-yl)ethanone
SMILESCC(=O)c1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O/c1-6(14)10-8-5-7(11)3-4-9(8)13(2)12-10/h3-5H,1-2H3
InChIKeyIUWDIOJWXRNUJY-UHFFFAOYSA-N
XLogP2.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
CID 171512307
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
5-amino-1-methylindazole-3-carboxylic acid
CID 84663060
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
methyl 5-bromo-1-ethylindazole-3-carboxylate
CID 170559421
5-bromo-1-phenylindazole-3-carboxylic acid
CID 139220428
5-(aminomethyl)-1-methylindazole-3-carboxylic acid
CID 84778324
1-(2,7-dibromocarbazol-9-yl)ethanone
CID 58556563
3,6-dibromo-1-methylindazole
CID 76846072
5-bromo-3-(2-isocyanoethyl)-1-methylindazole
CID 83488780
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(5-bromo-1-methylindazol-3-yl)ethanone (CID 82623224) is 1-(5-bromo-1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(5-bromo-1-methylindazol-3-yl)ethanone is CC(=O)c1nn(C)c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1-methylindazol-3-yl)ethanone?
The InChIKey is IUWDIOJWXRNUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6(14)10-8-5-7(11)3-4-9(8)13(2)12-10/h3-5H,1-2H3.
What are the key properties of 1-(5-bromo-1-methylindazol-3-yl)ethanone?
1-(5-bromo-1-methylindazol-3-yl)ethanone has a molecular weight of 253.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 82623224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).