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

C8H8BrN3 — CID 24729381

IUPAC6-bromo-3-methyl-2H-indazol-4-amine
SMILESCc1[nH]nc2cc(Br)cc(N)c12
InChIInChI=1S/C8H8BrN3/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,10H2,1H3,(H,11,12)
InChIKeyXMAMFUFNVSKGRF-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.22
Rot. Bonds

About 6-bromo-3-methyl-2H-indazol-4-amine

6-bromo-3-methyl-2H-indazol-4-amine (PubChem CID 24729381) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 6-bromo-3-methyl-2H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-3-methyl-2H-indazol-4-amine
PubChem CID24729381
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name6-bromo-3-methyl-2H-indazol-4-amine
SMILESCc1[nH]nc2cc(Br)cc(N)c12
InChIInChI=1S/C8H8BrN3/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,10H2,1H3,(H,11,12)
InChIKeyXMAMFUFNVSKGRF-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.22
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-3-methyl-2H-indazol-4-amine?
The IUPAC name of 6-bromo-3-methyl-2H-indazol-4-amine (CID 24729381) is 6-bromo-3-methyl-2H-indazol-4-amine.
What is the SMILES notation for 6-bromo-3-methyl-2H-indazol-4-amine?
The canonical SMILES for 6-bromo-3-methyl-2H-indazol-4-amine is Cc1[nH]nc2cc(Br)cc(N)c12.
What is the InChIKey of 6-bromo-3-methyl-2H-indazol-4-amine?
The InChIKey is XMAMFUFNVSKGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 6-bromo-3-methyl-2H-indazol-4-amine?
6-bromo-3-methyl-2H-indazol-4-amine has a molecular weight of 226.08 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2H-indazol-4-amine is sourced from PubChem (CID 24729381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).