6-bromo-1H-indazol-4-amine

C7H6BrN3 — CID 24728063

IUPAC6-bromo-1H-indazol-4-amine
SMILESNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11)
InChIKeyJORDVWJEXMDSBI-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.91
Rot. Bonds

About 6-bromo-1H-indazol-4-amine

6-bromo-1H-indazol-4-amine (PubChem CID 24728063) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 6-bromo-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-1H-indazol-4-amine
PubChem CID24728063
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name6-bromo-1H-indazol-4-amine
SMILESNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11)
InChIKeyJORDVWJEXMDSBI-UHFFFAOYSA-N
XLogP1.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indazol-4-amine?
The IUPAC name of 6-bromo-1H-indazol-4-amine (CID 24728063) is 6-bromo-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-1H-indazol-4-amine is Nc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 6-bromo-1H-indazol-4-amine?
The InChIKey is JORDVWJEXMDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11).
What are the key properties of 6-bromo-1H-indazol-4-amine?
6-bromo-1H-indazol-4-amine has a molecular weight of 212.05 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indazol-4-amine is sourced from PubChem (CID 24728063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).