2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone

C9H6Br2N2O — CID 130116055

IUPAC2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone
SMILESO=C(CBr)c1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C9H6Br2N2O/c10-3-9(14)6-1-5(11)2-8-7(6)4-12-13-8/h1-2,4H,3H2,(H,12,13)
InChIKeyWUAZLNQTUYMKPG-UHFFFAOYSA-N
MW317.97 g/mol
LogP2.90
Rot. Bonds2

About 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone

2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone (PubChem CID 130116055) has the molecular formula C9H6Br2N2O and a molecular weight of 317.97 g/mol. Its IUPAC name is 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone
PubChem CID130116055
Molecular FormulaC9H6Br2N2O
Molecular Weight317.97 g/mol
Exact Mass315.88
IUPAC Name2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone
SMILESO=C(CBr)c1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C9H6Br2N2O/c10-3-9(14)6-1-5(11)2-8-7(6)4-12-13-8/h1-2,4H,3H2,(H,12,13)
InChIKeyWUAZLNQTUYMKPG-UHFFFAOYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.97
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-1H-indazol-4-yl)acetic acid
CID 174657901
6-bromo-4-propyl-1H-indazole
CID 118396502
5-bromo-2-(2-bromoacetyl)benzoic acid
CID 91882524
6-fluoro-1H-indazole-4-carboxylic acid
CID 24728354
6-methyl-1H-indazole-4-carbohydrazide
CID 91582443
N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide
CID 146669500
6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide
CID 123621923
4-[1-[(6-bromo-1H-indazol-4-yl)amino]-2-hydroxyethyl]benzoic acid
CID 134150923
methyl 4-amino-5-bromo-1H-indazole-6-carboxylate
CID 142345968
2-[3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]anilino]acetic acid
CID 146669441
1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 121326046
6,7-dibromo-1H-cinnolin-4-one
CID 165443334

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone?
The IUPAC name of 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone (CID 130116055) is 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone is O=C(CBr)c1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone?
The InChIKey is WUAZLNQTUYMKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O/c10-3-9(14)6-1-5(11)2-8-7(6)4-12-13-8/h1-2,4H,3H2,(H,12,13).
What are the key properties of 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone?
2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone has a molecular weight of 317.97 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-bromo-1H-indazol-4-yl)ethanone is sourced from PubChem (CID 130116055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).