7-bromo-1-methylindazol-3-amine

C8H8BrN3 — CID 83911247

IUPAC7-bromo-1-methylindazol-3-amine
SMILESCn1nc(N)c2cccc(Br)c21
InChIInChI=1S/C8H8BrN3/c1-12-7-5(8(10)11-12)3-2-4-6(7)9/h2-4H,1H3,(H2,10,11)
InChIKeyFKHIGEZZBUSMGL-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.92
Rot. Bonds

About 7-bromo-1-methylindazol-3-amine

7-bromo-1-methylindazol-3-amine (PubChem CID 83911247) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 7-bromo-1-methylindazol-3-amine.

Molecular Properties

Compound Name7-bromo-1-methylindazol-3-amine
PubChem CID83911247
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name7-bromo-1-methylindazol-3-amine
SMILESCn1nc(N)c2cccc(Br)c21
InChIInChI=1S/C8H8BrN3/c1-12-7-5(8(10)11-12)3-2-4-6(7)9/h2-4H,1H3,(H2,10,11)
InChIKeyFKHIGEZZBUSMGL-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

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Related Compounds

2-Methyl-2H-indazol-3-amine
CID 590075
1-Methyl-1H-indazol-3-amine
CID 12291317
3-Bromo-1-methyl-1H-indazole
CID 22419368
7-Bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine
CID 134262960
1-Ethyl-1H-Indazol-3-Amine
CID 28064807
1-(Cyclopropylmethyl)-1H-indazol-3-amine
CID 28064646
5-bromo-2,3-dimethyl-2H-indazole
CID 11499567
3-Amino-4-fluoro-1-methylindazole
CID 15239648
5-Fluoro-1-methyl-1H-indazol-3-amine
CID 15239649
6-Fluoro-1-methyl-1H-indazol-3-amine
CID 15239650
7-bromo-1-methyl-1H-indazole
CID 21094563
7-bromo-2-methyl-2H-indazole
CID 21094580

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylindazol-3-amine?
The IUPAC name of 7-bromo-1-methylindazol-3-amine (CID 83911247) is 7-bromo-1-methylindazol-3-amine.
What is the SMILES notation for 7-bromo-1-methylindazol-3-amine?
The canonical SMILES for 7-bromo-1-methylindazol-3-amine is Cn1nc(N)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-methylindazol-3-amine?
The InChIKey is FKHIGEZZBUSMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-12-7-5(8(10)11-12)3-2-4-6(7)9/h2-4H,1H3,(H2,10,11).
What are the key properties of 7-bromo-1-methylindazol-3-amine?
7-bromo-1-methylindazol-3-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 7-bromo-1-methylindazol-3-amine is sourced from PubChem (CID 83911247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).