6-bromo-3-methyl-1-phenylindazole

C14H11BrN2 — CID 67449853

IUPAC6-bromo-3-methyl-1-phenylindazole
SMILESCc1nn(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C14H11BrN2/c1-10-13-8-7-11(15)9-14(13)17(16-10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyJYAXXQKAFQQGIA-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.10
Rot. Bonds1

About 6-bromo-3-methyl-1-phenylindazole

6-bromo-3-methyl-1-phenylindazole (PubChem CID 67449853) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-phenylindazole.

Molecular Properties

Compound Name6-bromo-3-methyl-1-phenylindazole
PubChem CID67449853
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name6-bromo-3-methyl-1-phenylindazole
SMILESCc1nn(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C14H11BrN2/c1-10-13-8-7-11(15)9-14(13)17(16-10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyJYAXXQKAFQQGIA-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3-methyl-1-phenylindazole 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 6-bromo-3-methyl-1-phenylindazole?
The IUPAC name of 6-bromo-3-methyl-1-phenylindazole (CID 67449853) is 6-bromo-3-methyl-1-phenylindazole.
What is the SMILES notation for 6-bromo-3-methyl-1-phenylindazole?
The canonical SMILES for 6-bromo-3-methyl-1-phenylindazole is Cc1nn(-c2ccccc2)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-methyl-1-phenylindazole?
The InChIKey is JYAXXQKAFQQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-13-8-7-11(15)9-14(13)17(16-10)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 6-bromo-3-methyl-1-phenylindazole?
6-bromo-3-methyl-1-phenylindazole has a molecular weight of 287.16 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1-phenylindazole is sourced from PubChem (CID 67449853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).