6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole

C10H8Br2N2 — CID 169476513

IUPAC6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole
SMILESBrCC=Cc1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H8Br2N2/c11-5-1-2-9-8-4-3-7(12)6-10(8)14-13-9/h1-4,6H,5H2,(H,13,14)
InChIKeyQEWAFVQTAFRGKC-UHFFFAOYSA-N
MW316.00 g/mol
LogP3.73
Rot. Bonds2

About 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole

6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole (PubChem CID 169476513) has the molecular formula C10H8Br2N2 and a molecular weight of 316.00 g/mol. Its IUPAC name is 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole.

Molecular Properties

Compound Name6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole
PubChem CID169476513
Molecular FormulaC10H8Br2N2
Molecular Weight316.00 g/mol
Exact Mass313.91
IUPAC Name6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole
SMILESBrCC=Cc1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H8Br2N2/c11-5-1-2-9-8-4-3-7(12)6-10(8)14-13-9/h1-4,6H,5H2,(H,13,14)
InChIKeyQEWAFVQTAFRGKC-UHFFFAOYSA-N
XLogP3.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.00
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole?
The IUPAC name of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole (CID 169476513) is 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole.
What is the SMILES notation for 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole?
The canonical SMILES for 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole is BrCC=Cc1n[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole?
The InChIKey is QEWAFVQTAFRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2/c11-5-1-2-9-8-4-3-7(12)6-10(8)14-13-9/h1-4,6H,5H2,(H,13,14).
What are the key properties of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole?
6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole has a molecular weight of 316.00 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole is sourced from PubChem (CID 169476513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).