5-(bromomethyl)-1H-indazole;hydron

C8H8BrN2+ — CID 70114512

IUPAC5-(bromomethyl)-1H-indazole;hydron
SMILESBrCc1ccc2[nH]ncc2c1.[H+]
InChIInChI=1S/C8H7BrN2/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4H2,(H,10,11)/p+1
InChIKeyZTVQCRFGLVAFEC-UHFFFAOYSA-O
MW212.07 g/mol
LogP2.57
Rot. Bonds1

About 5-(bromomethyl)-1H-indazole;hydron

5-(bromomethyl)-1H-indazole;hydron (PubChem CID 70114512) has the molecular formula C8H8BrN2+ and a molecular weight of 212.07 g/mol. Its IUPAC name is 5-(bromomethyl)-1H-indazole;hydron.

Molecular Properties

Compound Name5-(bromomethyl)-1H-indazole;hydron
PubChem CID70114512
Molecular FormulaC8H8BrN2+
Molecular Weight212.07 g/mol
Exact Mass210.99
IUPAC Name5-(bromomethyl)-1H-indazole;hydron
SMILESBrCc1ccc2[nH]ncc2c1.[H+]
InChIInChI=1S/C8H7BrN2/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4H2,(H,10,11)/p+1
InChIKeyZTVQCRFGLVAFEC-UHFFFAOYSA-O
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.07
LogP ≤ 52.57
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 5-(bromomethyl)-1H-indazole;hydron?
The IUPAC name of 5-(bromomethyl)-1H-indazole;hydron (CID 70114512) is 5-(bromomethyl)-1H-indazole;hydron.
What is the SMILES notation for 5-(bromomethyl)-1H-indazole;hydron?
The canonical SMILES for 5-(bromomethyl)-1H-indazole;hydron is BrCc1ccc2[nH]ncc2c1.[H+].
What is the InChIKey of 5-(bromomethyl)-1H-indazole;hydron?
The InChIKey is ZTVQCRFGLVAFEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7BrN2/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4H2,(H,10,11)/p+1.
What are the key properties of 5-(bromomethyl)-1H-indazole;hydron?
5-(bromomethyl)-1H-indazole;hydron has a molecular weight of 212.07 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1H-indazole;hydron is sourced from PubChem (CID 70114512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).