2-(2-bromoethyl)-5-fluoroindazole

C9H8BrFN2 — CID 141191829

IUPAC2-(2-bromoethyl)-5-fluoroindazole
SMILESFc1ccc2nn(CCBr)cc2c1
InChIInChI=1S/C9H8BrFN2/c10-3-4-13-6-7-5-8(11)1-2-9(7)12-13/h1-2,5-6H,3-4H2
InChIKeyFFWNATCZBGACQR-UHFFFAOYSA-N
MW243.08 g/mol
LogP2.57
Rot. Bonds2

About 2-(2-bromoethyl)-5-fluoroindazole

2-(2-bromoethyl)-5-fluoroindazole (PubChem CID 141191829) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 2-(2-bromoethyl)-5-fluoroindazole.

Molecular Properties

Compound Name2-(2-bromoethyl)-5-fluoroindazole
PubChem CID141191829
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name2-(2-bromoethyl)-5-fluoroindazole
SMILESFc1ccc2nn(CCBr)cc2c1
InChIInChI=1S/C9H8BrFN2/c10-3-4-13-6-7-5-8(11)1-2-9(7)12-13/h1-2,5-6H,3-4H2
InChIKeyFFWNATCZBGACQR-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-5-fluoroindazole?
The IUPAC name of 2-(2-bromoethyl)-5-fluoroindazole (CID 141191829) is 2-(2-bromoethyl)-5-fluoroindazole.
What is the SMILES notation for 2-(2-bromoethyl)-5-fluoroindazole?
The canonical SMILES for 2-(2-bromoethyl)-5-fluoroindazole is Fc1ccc2nn(CCBr)cc2c1.
What is the InChIKey of 2-(2-bromoethyl)-5-fluoroindazole?
The InChIKey is FFWNATCZBGACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c10-3-4-13-6-7-5-8(11)1-2-9(7)12-13/h1-2,5-6H,3-4H2.
What are the key properties of 2-(2-bromoethyl)-5-fluoroindazole?
2-(2-bromoethyl)-5-fluoroindazole has a molecular weight of 243.08 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-5-fluoroindazole is sourced from PubChem (CID 141191829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).