5-bromo-4-chloro-1-phenylindazole

C13H8BrClN2 — CID 59437254

IUPAC5-bromo-4-chloro-1-phenylindazole
SMILESClc1c(Br)ccc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H8BrClN2/c14-11-6-7-12-10(13(11)15)8-16-17(12)9-4-2-1-3-5-9/h1-8H
InChIKeyNORNXOVTOOBOGK-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.44
Rot. Bonds1

About 5-bromo-4-chloro-1-phenylindazole

5-bromo-4-chloro-1-phenylindazole (PubChem CID 59437254) has the molecular formula C13H8BrClN2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-phenylindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-1-phenylindazole
PubChem CID59437254
Molecular FormulaC13H8BrClN2
Molecular Weight307.58 g/mol
Exact Mass305.96
IUPAC Name5-bromo-4-chloro-1-phenylindazole
SMILESClc1c(Br)ccc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H8BrClN2/c14-11-6-7-12-10(13(11)15)8-16-17(12)9-4-2-1-3-5-9/h1-8H
InChIKeyNORNXOVTOOBOGK-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1-phenylindazole?
The IUPAC name of 5-bromo-4-chloro-1-phenylindazole (CID 59437254) is 5-bromo-4-chloro-1-phenylindazole.
What is the SMILES notation for 5-bromo-4-chloro-1-phenylindazole?
The canonical SMILES for 5-bromo-4-chloro-1-phenylindazole is Clc1c(Br)ccc2c1cnn2-c1ccccc1.
What is the InChIKey of 5-bromo-4-chloro-1-phenylindazole?
The InChIKey is NORNXOVTOOBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2/c14-11-6-7-12-10(13(11)15)8-16-17(12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-bromo-4-chloro-1-phenylindazole?
5-bromo-4-chloro-1-phenylindazole has a molecular weight of 307.58 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-phenylindazole is sourced from PubChem (CID 59437254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).