4-bromo-6-methyl-1H-benzo[f]indazole

C12H9BrN2 — CID 170195977

IUPAC4-bromo-6-methyl-1H-benzo[f]indazole
SMILESCc1ccc2cc3[nH]ncc3c(Br)c2c1
InChIInChI=1S/C12H9BrN2/c1-7-2-3-8-5-11-10(6-14-15-11)12(13)9(8)4-7/h2-6H,1H3,(H,14,15)
InChIKeyCBMJVJILKYDXOC-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.79
Rot. Bonds

About 4-bromo-6-methyl-1H-benzo[f]indazole

4-bromo-6-methyl-1H-benzo[f]indazole (PubChem CID 170195977) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-bromo-6-methyl-1H-benzo[f]indazole.

Molecular Properties

Compound Name4-bromo-6-methyl-1H-benzo[f]indazole
PubChem CID170195977
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name4-bromo-6-methyl-1H-benzo[f]indazole
SMILESCc1ccc2cc3[nH]ncc3c(Br)c2c1
InChIInChI=1S/C12H9BrN2/c1-7-2-3-8-5-11-10(6-14-15-11)12(13)9(8)4-7/h2-6H,1H3,(H,14,15)
InChIKeyCBMJVJILKYDXOC-UHFFFAOYSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-6-methyl-1H-benzo[f]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-1H-benzo[f]indazole?
The IUPAC name of 4-bromo-6-methyl-1H-benzo[f]indazole (CID 170195977) is 4-bromo-6-methyl-1H-benzo[f]indazole.
What is the SMILES notation for 4-bromo-6-methyl-1H-benzo[f]indazole?
The canonical SMILES for 4-bromo-6-methyl-1H-benzo[f]indazole is Cc1ccc2cc3[nH]ncc3c(Br)c2c1.
What is the InChIKey of 4-bromo-6-methyl-1H-benzo[f]indazole?
The InChIKey is CBMJVJILKYDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-7-2-3-8-5-11-10(6-14-15-11)12(13)9(8)4-7/h2-6H,1H3,(H,14,15).
What are the key properties of 4-bromo-6-methyl-1H-benzo[f]indazole?
4-bromo-6-methyl-1H-benzo[f]indazole has a molecular weight of 261.12 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-1H-benzo[f]indazole is sourced from PubChem (CID 170195977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).