5-bromo-7-ethenyl-1H-indazole

C9H7BrN2 — CID 135317901

IUPAC5-bromo-7-ethenyl-1H-indazole
SMILESC=Cc1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C9H7BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h2-5H,1H2,(H,11,12)
InChIKeyJAQUFUPAPXPNFF-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.97
Rot. Bonds1

About 5-bromo-7-ethenyl-1H-indazole

5-bromo-7-ethenyl-1H-indazole (PubChem CID 135317901) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromo-7-ethenyl-1H-indazole.

Molecular Properties

Compound Name5-bromo-7-ethenyl-1H-indazole
PubChem CID135317901
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name5-bromo-7-ethenyl-1H-indazole
SMILESC=Cc1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C9H7BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h2-5H,1H2,(H,11,12)
InChIKeyJAQUFUPAPXPNFF-UHFFFAOYSA-N
XLogP2.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-ethenyl-1H-indazole?
The IUPAC name of 5-bromo-7-ethenyl-1H-indazole (CID 135317901) is 5-bromo-7-ethenyl-1H-indazole.
What is the SMILES notation for 5-bromo-7-ethenyl-1H-indazole?
The canonical SMILES for 5-bromo-7-ethenyl-1H-indazole is C=Cc1cc(Br)cc2cn[nH]c12.
What is the InChIKey of 5-bromo-7-ethenyl-1H-indazole?
The InChIKey is JAQUFUPAPXPNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h2-5H,1H2,(H,11,12).
What are the key properties of 5-bromo-7-ethenyl-1H-indazole?
5-bromo-7-ethenyl-1H-indazole has a molecular weight of 223.07 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethenyl-1H-indazole is sourced from PubChem (CID 135317901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).