5-bromo-3-ethyl-7-fluoro-2H-indazole

C9H8BrFN2 — CID 70841060

IUPAC5-bromo-3-ethyl-7-fluoro-2H-indazole
SMILESCCc1[nH]nc2c(F)cc(Br)cc12
InChIInChI=1S/C9H8BrFN2/c1-2-8-6-3-5(10)4-7(11)9(6)13-12-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyNGNLXRJWJJYCJM-UHFFFAOYSA-N
MW243.08 g/mol
LogP3.03
Rot. Bonds1

About 5-bromo-3-ethyl-7-fluoro-2H-indazole

5-bromo-3-ethyl-7-fluoro-2H-indazole (PubChem CID 70841060) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 5-bromo-3-ethyl-7-fluoro-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-ethyl-7-fluoro-2H-indazole
PubChem CID70841060
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name5-bromo-3-ethyl-7-fluoro-2H-indazole
SMILESCCc1[nH]nc2c(F)cc(Br)cc12
InChIInChI=1S/C9H8BrFN2/c1-2-8-6-3-5(10)4-7(11)9(6)13-12-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyNGNLXRJWJJYCJM-UHFFFAOYSA-N
XLogP3.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3-ethyl-7-fluoro-2H-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-3-ethyl-7-fluoro-2H-indazole?
The IUPAC name of 5-bromo-3-ethyl-7-fluoro-2H-indazole (CID 70841060) is 5-bromo-3-ethyl-7-fluoro-2H-indazole.
What is the SMILES notation for 5-bromo-3-ethyl-7-fluoro-2H-indazole?
The canonical SMILES for 5-bromo-3-ethyl-7-fluoro-2H-indazole is CCc1[nH]nc2c(F)cc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethyl-7-fluoro-2H-indazole?
The InChIKey is NGNLXRJWJJYCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c1-2-8-6-3-5(10)4-7(11)9(6)13-12-8/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-3-ethyl-7-fluoro-2H-indazole?
5-bromo-3-ethyl-7-fluoro-2H-indazole has a molecular weight of 243.08 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-7-fluoro-2H-indazole is sourced from PubChem (CID 70841060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).