(1-acetyl-6-bromoindazol-5-yl) acetate

C11H9BrN2O3 — CID 66767123

IUPAC(1-acetyl-6-bromoindazol-5-yl) acetate
SMILESCC(=O)Oc1cc2cnn(C(C)=O)c2cc1Br
InChIInChI=1S/C11H9BrN2O3/c1-6(15)14-10-4-9(12)11(17-7(2)16)3-8(10)5-13-14/h3-5H,1-2H3
InChIKeyULMJHNMTKSEWKX-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.38
Rot. Bonds1

About (1-acetyl-6-bromoindazol-5-yl) acetate

(1-acetyl-6-bromoindazol-5-yl) acetate (PubChem CID 66767123) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is (1-acetyl-6-bromoindazol-5-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-6-bromoindazol-5-yl) acetate
PubChem CID66767123
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name(1-acetyl-6-bromoindazol-5-yl) acetate
SMILESCC(=O)Oc1cc2cnn(C(C)=O)c2cc1Br
InChIInChI=1S/C11H9BrN2O3/c1-6(15)14-10-4-9(12)11(17-7(2)16)3-8(10)5-13-14/h3-5H,1-2H3
InChIKeyULMJHNMTKSEWKX-UHFFFAOYSA-N
XLogP2.38
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-[6-bromo-5-(trifluoromethoxy)indazol-1-yl]ethanone
CID 171597936
1-(5-bromopyrazolo[3,4-c]pyridin-1-yl)ethanone
CID 72698524
1-(5-bromoindazol-1-yl)ethanone
CID 15278610
(3-bromoanthracen-2-yl) acetate
CID 89282630
(1-acetyl-4-fluoroindazol-5-yl) acetate
CID 69431575
1-[7-(5-chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-1-yl]ethanone
CID 139766733
[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate
CID 174599685
(4-acetyloxyfuran-3-yl) acetate
CID 159892676
tert-butyl 6-bromo-5-(3,3-dimethylbutanoylamino)indazole-1-carboxylate
CID 122650629
1-(7-methylindazol-1-yl)ethanone
CID 12639175
5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 121418053
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-6-bromoindazol-5-yl) acetate?
The IUPAC name of (1-acetyl-6-bromoindazol-5-yl) acetate (CID 66767123) is (1-acetyl-6-bromoindazol-5-yl) acetate.
What is the SMILES notation for (1-acetyl-6-bromoindazol-5-yl) acetate?
The canonical SMILES for (1-acetyl-6-bromoindazol-5-yl) acetate is CC(=O)Oc1cc2cnn(C(C)=O)c2cc1Br.
What is the InChIKey of (1-acetyl-6-bromoindazol-5-yl) acetate?
The InChIKey is ULMJHNMTKSEWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-6(15)14-10-4-9(12)11(17-7(2)16)3-8(10)5-13-14/h3-5H,1-2H3.
What are the key properties of (1-acetyl-6-bromoindazol-5-yl) acetate?
(1-acetyl-6-bromoindazol-5-yl) acetate has a molecular weight of 297.11 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-6-bromoindazol-5-yl) acetate is sourced from PubChem (CID 66767123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).