2-benzyl-6-chloro-5-fluoroindazole

C14H10ClFN2 — CID 58529592

IUPAC2-benzyl-6-chloro-5-fluoroindazole
SMILESFc1cc2cn(Cc3ccccc3)nc2cc1Cl
InChIInChI=1S/C14H10ClFN2/c15-12-7-14-11(6-13(12)16)9-18(17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyDWDICWXSOIIWFG-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.88
Rot. Bonds2

About 2-benzyl-6-chloro-5-fluoroindazole

2-benzyl-6-chloro-5-fluoroindazole (PubChem CID 58529592) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-benzyl-6-chloro-5-fluoroindazole.

Molecular Properties

Compound Name2-benzyl-6-chloro-5-fluoroindazole
PubChem CID58529592
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-benzyl-6-chloro-5-fluoroindazole
SMILESFc1cc2cn(Cc3ccccc3)nc2cc1Cl
InChIInChI=1S/C14H10ClFN2/c15-12-7-14-11(6-13(12)16)9-18(17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyDWDICWXSOIIWFG-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-6-chloro-5-fluoroindazole 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 2-benzyl-6-chloro-5-fluoroindazole?
The IUPAC name of 2-benzyl-6-chloro-5-fluoroindazole (CID 58529592) is 2-benzyl-6-chloro-5-fluoroindazole.
What is the SMILES notation for 2-benzyl-6-chloro-5-fluoroindazole?
The canonical SMILES for 2-benzyl-6-chloro-5-fluoroindazole is Fc1cc2cn(Cc3ccccc3)nc2cc1Cl.
What is the InChIKey of 2-benzyl-6-chloro-5-fluoroindazole?
The InChIKey is DWDICWXSOIIWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-12-7-14-11(6-13(12)16)9-18(17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 2-benzyl-6-chloro-5-fluoroindazole?
2-benzyl-6-chloro-5-fluoroindazole has a molecular weight of 260.70 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-chloro-5-fluoroindazole is sourced from PubChem (CID 58529592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).