7-bromo-7H-indazol-5-amine

C7H6BrN3 — CID 69184431

IUPAC7-bromo-7H-indazol-5-amine
SMILESNC1=CC(Br)C2=NN=CC2=C1
InChIInChI=1S/C7H6BrN3/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3,6H,9H2
InChIKeySOXRCYTVWJPUFH-UHFFFAOYSA-N
MW212.05 g/mol
LogP0.97
Rot. Bonds

About 7-bromo-7H-indazol-5-amine

7-bromo-7H-indazol-5-amine (PubChem CID 69184431) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 7-bromo-7H-indazol-5-amine.

Molecular Properties

Compound Name7-bromo-7H-indazol-5-amine
PubChem CID69184431
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name7-bromo-7H-indazol-5-amine
SMILESNC1=CC(Br)C2=NN=CC2=C1
InChIInChI=1S/C7H6BrN3/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3,6H,9H2
InChIKeySOXRCYTVWJPUFH-UHFFFAOYSA-N
XLogP0.97
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-bromo-7H-indazol-5-amine?
The IUPAC name of 7-bromo-7H-indazol-5-amine (CID 69184431) is 7-bromo-7H-indazol-5-amine.
What is the SMILES notation for 7-bromo-7H-indazol-5-amine?
The canonical SMILES for 7-bromo-7H-indazol-5-amine is NC1=CC(Br)C2=NN=CC2=C1.
What is the InChIKey of 7-bromo-7H-indazol-5-amine?
The InChIKey is SOXRCYTVWJPUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3,6H,9H2.
What are the key properties of 7-bromo-7H-indazol-5-amine?
7-bromo-7H-indazol-5-amine has a molecular weight of 212.05 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-7H-indazol-5-amine is sourced from PubChem (CID 69184431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).