3-bromo-2H-indazole

C7H5BrN2 — CID 721568

IUPAC3-bromo-2H-indazole
SMILESBrc1[nH]nc2ccccc12
InChIInChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
InChIKeyHTKXRTUKPXEALT-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.33
Rot. Bonds

About 3-bromo-2H-indazole

3-bromo-2H-indazole (PubChem CID 721568) has the molecular formula C7H5BrN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 3-bromo-2H-indazole.

Molecular Properties

Compound Name3-bromo-2H-indazole
PubChem CID721568
Molecular FormulaC7H5BrN2
Molecular Weight197.04 g/mol
Exact Mass195.96
IUPAC Name3-bromo-2H-indazole
SMILESBrc1[nH]nc2ccccc12
InChIInChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
InChIKeyHTKXRTUKPXEALT-UHFFFAOYSA-N
XLogP2.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-indazole?
The IUPAC name of 3-bromo-2H-indazole (CID 721568) is 3-bromo-2H-indazole.
What is the SMILES notation for 3-bromo-2H-indazole?
The canonical SMILES for 3-bromo-2H-indazole is Brc1[nH]nc2ccccc12.
What is the InChIKey of 3-bromo-2H-indazole?
The InChIKey is HTKXRTUKPXEALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10).
What are the key properties of 3-bromo-2H-indazole?
3-bromo-2H-indazole has a molecular weight of 197.04 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-indazole is sourced from PubChem (CID 721568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).