5-bromo-3-methyl-2H-indazol-7-amine

C8H8BrN3 — CID 84690319

IUPAC5-bromo-3-methyl-2H-indazol-7-amine
SMILESCc1[nH]nc2c(N)cc(Br)cc12
InChIInChI=1S/C8H8BrN3/c1-4-6-2-5(9)3-7(10)8(6)12-11-4/h2-3H,10H2,1H3,(H,11,12)
InChIKeyPONSLRJITJEGRX-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.22
Rot. Bonds

About 5-bromo-3-methyl-2H-indazol-7-amine

5-bromo-3-methyl-2H-indazol-7-amine (PubChem CID 84690319) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 5-bromo-3-methyl-2H-indazol-7-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-2H-indazol-7-amine
PubChem CID84690319
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name5-bromo-3-methyl-2H-indazol-7-amine
SMILESCc1[nH]nc2c(N)cc(Br)cc12
InChIInChI=1S/C8H8BrN3/c1-4-6-2-5(9)3-7(10)8(6)12-11-4/h2-3H,10H2,1H3,(H,11,12)
InChIKeyPONSLRJITJEGRX-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 5-bromo-3-methyl-2H-indazol-7-amine?
The IUPAC name of 5-bromo-3-methyl-2H-indazol-7-amine (CID 84690319) is 5-bromo-3-methyl-2H-indazol-7-amine.
What is the SMILES notation for 5-bromo-3-methyl-2H-indazol-7-amine?
The canonical SMILES for 5-bromo-3-methyl-2H-indazol-7-amine is Cc1[nH]nc2c(N)cc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-2H-indazol-7-amine?
The InChIKey is PONSLRJITJEGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-4-6-2-5(9)3-7(10)8(6)12-11-4/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 5-bromo-3-methyl-2H-indazol-7-amine?
5-bromo-3-methyl-2H-indazol-7-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 5-bromo-3-methyl-2H-indazol-7-amine is sourced from PubChem (CID 84690319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).