2-(3-chlorophenyl)indazole

C13H9ClN2 — CID 1214778

IUPAC2-(3-chlorophenyl)indazole
SMILESClc1cccc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C13H9ClN2/c14-11-5-3-6-12(8-11)16-9-10-4-1-2-7-13(10)15-16/h1-9H
InChIKeyWMCUBOOKQAIXMG-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.68
Rot. Bonds1

About 2-(3-chlorophenyl)indazole

2-(3-chlorophenyl)indazole (PubChem CID 1214778) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)indazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)indazole
PubChem CID1214778
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name2-(3-chlorophenyl)indazole
SMILESClc1cccc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C13H9ClN2/c14-11-5-3-6-12(8-11)16-9-10-4-1-2-7-13(10)15-16/h1-9H
InChIKeyWMCUBOOKQAIXMG-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)indazole?
The IUPAC name of 2-(3-chlorophenyl)indazole (CID 1214778) is 2-(3-chlorophenyl)indazole.
What is the SMILES notation for 2-(3-chlorophenyl)indazole?
The canonical SMILES for 2-(3-chlorophenyl)indazole is Clc1cccc(-n2cc3ccccc3n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)indazole?
The InChIKey is WMCUBOOKQAIXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-11-5-3-6-12(8-11)16-9-10-4-1-2-7-13(10)15-16/h1-9H.
What are the key properties of 2-(3-chlorophenyl)indazole?
2-(3-chlorophenyl)indazole has a molecular weight of 228.68 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)indazole is sourced from PubChem (CID 1214778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).