5-bromo-4-chloro-2-(fluoromethyl)indazole

C8H5BrClFN2 — CID 146307863

IUPAC5-bromo-4-chloro-2-(fluoromethyl)indazole
SMILESFCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C8H5BrClFN2/c9-6-1-2-7-5(8(6)10)3-13(4-11)12-7/h1-3H,4H2
InChIKeyQAASRDOQUMVOOI-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.38
Rot. Bonds1

About 5-bromo-4-chloro-2-(fluoromethyl)indazole

5-bromo-4-chloro-2-(fluoromethyl)indazole (PubChem CID 146307863) has the molecular formula C8H5BrClFN2 and a molecular weight of 263.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(fluoromethyl)indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(fluoromethyl)indazole
PubChem CID146307863
Molecular FormulaC8H5BrClFN2
Molecular Weight263.50 g/mol
Exact Mass261.93
IUPAC Name5-bromo-4-chloro-2-(fluoromethyl)indazole
SMILESFCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C8H5BrClFN2/c9-6-1-2-7-5(8(6)10)3-13(4-11)12-7/h1-3H,4H2
InChIKeyQAASRDOQUMVOOI-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-chloro-2-(fluoromethyl)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 5-bromo-4-chloro-2-(fluoromethyl)indazole?
The IUPAC name of 5-bromo-4-chloro-2-(fluoromethyl)indazole (CID 146307863) is 5-bromo-4-chloro-2-(fluoromethyl)indazole.
What is the SMILES notation for 5-bromo-4-chloro-2-(fluoromethyl)indazole?
The canonical SMILES for 5-bromo-4-chloro-2-(fluoromethyl)indazole is FCn1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 5-bromo-4-chloro-2-(fluoromethyl)indazole?
The InChIKey is QAASRDOQUMVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFN2/c9-6-1-2-7-5(8(6)10)3-13(4-11)12-7/h1-3H,4H2.
What are the key properties of 5-bromo-4-chloro-2-(fluoromethyl)indazole?
5-bromo-4-chloro-2-(fluoromethyl)indazole has a molecular weight of 263.50 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(fluoromethyl)indazole is sourced from PubChem (CID 146307863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).