3-bromo-2H-indazol-4-amine

C7H6BrN3 — CID 24728194

IUPAC3-bromo-2H-indazol-4-amine
SMILESNc1cccc2n[nH]c(Br)c12
InChIInChI=1S/C7H6BrN3/c8-7-6-4(9)2-1-3-5(6)10-11-7/h1-3H,9H2,(H,10,11)
InChIKeyALMVLRQMJKZIPQ-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.91
Rot. Bonds

About 3-bromo-2H-indazol-4-amine

3-bromo-2H-indazol-4-amine (PubChem CID 24728194) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-bromo-2H-indazol-4-amine.

Molecular Properties

Compound Name3-bromo-2H-indazol-4-amine
PubChem CID24728194
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name3-bromo-2H-indazol-4-amine
SMILESNc1cccc2n[nH]c(Br)c12
InChIInChI=1S/C7H6BrN3/c8-7-6-4(9)2-1-3-5(6)10-11-7/h1-3H,9H2,(H,10,11)
InChIKeyALMVLRQMJKZIPQ-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 3-bromo-2H-indazol-4-amine?
The IUPAC name of 3-bromo-2H-indazol-4-amine (CID 24728194) is 3-bromo-2H-indazol-4-amine.
What is the SMILES notation for 3-bromo-2H-indazol-4-amine?
The canonical SMILES for 3-bromo-2H-indazol-4-amine is Nc1cccc2n[nH]c(Br)c12.
What is the InChIKey of 3-bromo-2H-indazol-4-amine?
The InChIKey is ALMVLRQMJKZIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c8-7-6-4(9)2-1-3-5(6)10-11-7/h1-3H,9H2,(H,10,11).
What are the key properties of 3-bromo-2H-indazol-4-amine?
3-bromo-2H-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 3-bromo-2H-indazol-4-amine is sourced from PubChem (CID 24728194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).