1-(4-chlorophenyl)indazole

C13H9ClN2 — CID 56950809

IUPAC1-(4-chlorophenyl)indazole
SMILESClc1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C13H9ClN2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16/h1-9H
InChIKeySBXQOBPGFOFIGS-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.68
Rot. Bonds1

About 1-(4-chlorophenyl)indazole

1-(4-chlorophenyl)indazole (PubChem CID 56950809) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)indazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)indazole
PubChem CID56950809
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name1-(4-chlorophenyl)indazole
SMILESClc1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C13H9ClN2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16/h1-9H
InChIKeySBXQOBPGFOFIGS-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 1-(4-chlorophenyl)indazole?
The IUPAC name of 1-(4-chlorophenyl)indazole (CID 56950809) is 1-(4-chlorophenyl)indazole.
What is the SMILES notation for 1-(4-chlorophenyl)indazole?
The canonical SMILES for 1-(4-chlorophenyl)indazole is Clc1ccc(-n2ncc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)indazole?
The InChIKey is SBXQOBPGFOFIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16/h1-9H.
What are the key properties of 1-(4-chlorophenyl)indazole?
1-(4-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 1-(4-chlorophenyl)indazole is sourced from PubChem (CID 56950809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).