3-bromo-2-methylindazol-4-amine

C8H8BrN3 — CID 84725761

IUPAC3-bromo-2-methylindazol-4-amine
SMILESCn1nc2cccc(N)c2c1Br
InChIInChI=1S/C8H8BrN3/c1-12-8(9)7-5(10)3-2-4-6(7)11-12/h2-4H,10H2,1H3
InChIKeyRNMAQKOZMIICOV-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.92
Rot. Bonds

About 3-bromo-2-methylindazol-4-amine

3-bromo-2-methylindazol-4-amine (PubChem CID 84725761) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 3-bromo-2-methylindazol-4-amine.

Molecular Properties

Compound Name3-bromo-2-methylindazol-4-amine
PubChem CID84725761
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name3-bromo-2-methylindazol-4-amine
SMILESCn1nc2cccc(N)c2c1Br
InChIInChI=1S/C8H8BrN3/c1-12-8(9)7-5(10)3-2-4-6(7)11-12/h2-4H,10H2,1H3
InChIKeyRNMAQKOZMIICOV-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2-methylindazol-4-amine?
The IUPAC name of 3-bromo-2-methylindazol-4-amine (CID 84725761) is 3-bromo-2-methylindazol-4-amine.
What is the SMILES notation for 3-bromo-2-methylindazol-4-amine?
The canonical SMILES for 3-bromo-2-methylindazol-4-amine is Cn1nc2cccc(N)c2c1Br.
What is the InChIKey of 3-bromo-2-methylindazol-4-amine?
The InChIKey is RNMAQKOZMIICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-12-8(9)7-5(10)3-2-4-6(7)11-12/h2-4H,10H2,1H3.
What are the key properties of 3-bromo-2-methylindazol-4-amine?
3-bromo-2-methylindazol-4-amine has a molecular weight of 226.08 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylindazol-4-amine is sourced from PubChem (CID 84725761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).