6-chloro-2-phenylindazole

C13H9ClN2 — CID 58529873

IUPAC6-chloro-2-phenylindazole
SMILESClc1ccc2cn(-c3ccccc3)nc2c1
InChIInChI=1S/C13H9ClN2/c14-11-7-6-10-9-16(15-13(10)8-11)12-4-2-1-3-5-12/h1-9H
InChIKeyPVBIMAUMCXSOPD-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.68
Rot. Bonds1

About 6-chloro-2-phenylindazole

6-chloro-2-phenylindazole (PubChem CID 58529873) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-2-phenylindazole.

Molecular Properties

Compound Name6-chloro-2-phenylindazole
PubChem CID58529873
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name6-chloro-2-phenylindazole
SMILESClc1ccc2cn(-c3ccccc3)nc2c1
InChIInChI=1S/C13H9ClN2/c14-11-7-6-10-9-16(15-13(10)8-11)12-4-2-1-3-5-12/h1-9H
InChIKeyPVBIMAUMCXSOPD-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 6-chloro-2-phenylindazole?
The IUPAC name of 6-chloro-2-phenylindazole (CID 58529873) is 6-chloro-2-phenylindazole.
What is the SMILES notation for 6-chloro-2-phenylindazole?
The canonical SMILES for 6-chloro-2-phenylindazole is Clc1ccc2cn(-c3ccccc3)nc2c1.
What is the InChIKey of 6-chloro-2-phenylindazole?
The InChIKey is PVBIMAUMCXSOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-11-7-6-10-9-16(15-13(10)8-11)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 6-chloro-2-phenylindazole?
6-chloro-2-phenylindazole 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 6-chloro-2-phenylindazole is sourced from PubChem (CID 58529873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).