2-benzyl-3-chloroindazole

C14H11ClN2 — CID 23463950

IUPAC2-benzyl-3-chloroindazole
SMILESClc1c2ccccc2nn1Cc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-12-8-4-5-9-13(12)16-17(14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPOXOCNLHCWFIEX-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.74
Rot. Bonds2

About 2-benzyl-3-chloroindazole

2-benzyl-3-chloroindazole (PubChem CID 23463950) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-benzyl-3-chloroindazole.

Molecular Properties

Compound Name2-benzyl-3-chloroindazole
PubChem CID23463950
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-benzyl-3-chloroindazole
SMILESClc1c2ccccc2nn1Cc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-12-8-4-5-9-13(12)16-17(14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPOXOCNLHCWFIEX-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-chloroindazole?
The IUPAC name of 2-benzyl-3-chloroindazole (CID 23463950) is 2-benzyl-3-chloroindazole.
What is the SMILES notation for 2-benzyl-3-chloroindazole?
The canonical SMILES for 2-benzyl-3-chloroindazole is Clc1c2ccccc2nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-chloroindazole?
The InChIKey is POXOCNLHCWFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-12-8-4-5-9-13(12)16-17(14)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-benzyl-3-chloroindazole?
2-benzyl-3-chloroindazole has a molecular weight of 242.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-chloroindazole is sourced from PubChem (CID 23463950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).