3-bromo-2-ethylindazol-5-amine

C9H10BrN3 — CID 84727982

IUPAC3-bromo-2-ethylindazol-5-amine
SMILESCCn1nc2ccc(N)cc2c1Br
InChIInChI=1S/C9H10BrN3/c1-2-13-9(10)7-5-6(11)3-4-8(7)12-13/h3-5H,2,11H2,1H3
InChIKeyFKWUMXXQXLCHFS-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds1

About 3-bromo-2-ethylindazol-5-amine

3-bromo-2-ethylindazol-5-amine (PubChem CID 84727982) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-2-ethylindazol-5-amine.

Molecular Properties

Compound Name3-bromo-2-ethylindazol-5-amine
PubChem CID84727982
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name3-bromo-2-ethylindazol-5-amine
SMILESCCn1nc2ccc(N)cc2c1Br
InChIInChI=1S/C9H10BrN3/c1-2-13-9(10)7-5-6(11)3-4-8(7)12-13/h3-5H,2,11H2,1H3
InChIKeyFKWUMXXQXLCHFS-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.40
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-ethylindazol-5-amine?
The IUPAC name of 3-bromo-2-ethylindazol-5-amine (CID 84727982) is 3-bromo-2-ethylindazol-5-amine.
What is the SMILES notation for 3-bromo-2-ethylindazol-5-amine?
The canonical SMILES for 3-bromo-2-ethylindazol-5-amine is CCn1nc2ccc(N)cc2c1Br.
What is the InChIKey of 3-bromo-2-ethylindazol-5-amine?
The InChIKey is FKWUMXXQXLCHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-2-13-9(10)7-5-6(11)3-4-8(7)12-13/h3-5H,2,11H2,1H3.
What are the key properties of 3-bromo-2-ethylindazol-5-amine?
3-bromo-2-ethylindazol-5-amine has a molecular weight of 240.10 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethylindazol-5-amine is sourced from PubChem (CID 84727982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).