5-bromo-7-chloro-6-fluoro-1H-indazole

C7H3BrClFN2 — CID 178050723

IUPAC5-bromo-7-chloro-6-fluoro-1H-indazole
SMILESFc1c(Br)cc2cn[nH]c2c1Cl
InChIInChI=1S/C7H3BrClFN2/c8-4-1-3-2-11-12-7(3)5(9)6(4)10/h1-2H,(H,11,12)
InChIKeyFVKARCTZXZMTFH-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.12
Rot. Bonds

About 5-bromo-7-chloro-6-fluoro-1H-indazole

5-bromo-7-chloro-6-fluoro-1H-indazole (PubChem CID 178050723) has the molecular formula C7H3BrClFN2 and a molecular weight of 249.47 g/mol. Its IUPAC name is 5-bromo-7-chloro-6-fluoro-1H-indazole.

Molecular Properties

Compound Name5-bromo-7-chloro-6-fluoro-1H-indazole
PubChem CID178050723
Molecular FormulaC7H3BrClFN2
Molecular Weight249.47 g/mol
Exact Mass247.92
IUPAC Name5-bromo-7-chloro-6-fluoro-1H-indazole
SMILESFc1c(Br)cc2cn[nH]c2c1Cl
InChIInChI=1S/C7H3BrClFN2/c8-4-1-3-2-11-12-7(3)5(9)6(4)10/h1-2H,(H,11,12)
InChIKeyFVKARCTZXZMTFH-UHFFFAOYSA-N
XLogP3.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-bromo-7-chloro-6-fluoro-1H-indazole with MolForge

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

Launch Full Analysis

Related Compounds

7-Chloro-1H-indazole
CID 11116249
5-Bromo-7-iodo-1H-indazole
CID 59024218
5-Bromo-6-chloro-1H-indazole
CID 13337804
5-Bromo-3-chloro-1H-indazole
CID 24728237
5-Bromo-4-fluoro-1H-indazole
CID 45480393
5-bromo-4-chloro-1H-indazole
CID 45790030
7-Bromo-5-fluoro-1H-indazole
CID 57545999
5-Bromo-7-fluoro-1H-indazole
CID 66793110
5-Bromo-7-(trifluoromethyl)-1H-indazole
CID 67491372
7-Bromo-6-fluoro-1H-indazole
CID 122715590
6-bromo-7-chloro-1H-indazole
CID 130063113
7-bromo-4-fluoro-1H-indazole
CID 22473006

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-6-fluoro-1H-indazole?
The IUPAC name of 5-bromo-7-chloro-6-fluoro-1H-indazole (CID 178050723) is 5-bromo-7-chloro-6-fluoro-1H-indazole.
What is the SMILES notation for 5-bromo-7-chloro-6-fluoro-1H-indazole?
The canonical SMILES for 5-bromo-7-chloro-6-fluoro-1H-indazole is Fc1c(Br)cc2cn[nH]c2c1Cl.
What is the InChIKey of 5-bromo-7-chloro-6-fluoro-1H-indazole?
The InChIKey is FVKARCTZXZMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFN2/c8-4-1-3-2-11-12-7(3)5(9)6(4)10/h1-2H,(H,11,12).
What are the key properties of 5-bromo-7-chloro-6-fluoro-1H-indazole?
5-bromo-7-chloro-6-fluoro-1H-indazole has a molecular weight of 249.47 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-6-fluoro-1H-indazole is sourced from PubChem (CID 178050723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).