2-(2-bromo-4-methylphenyl)indazole

C14H11BrN2 — CID 166446141

IUPAC2-(2-bromo-4-methylphenyl)indazole
SMILESCc1ccc(-n2cc3ccccc3n2)c(Br)c1
InChIInChI=1S/C14H11BrN2/c1-10-6-7-14(12(15)8-10)17-9-11-4-2-3-5-13(11)16-17/h2-9H,1H3
InChIKeyITAOIXRJZLUQHN-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.10
Rot. Bonds1

About 2-(2-bromo-4-methylphenyl)indazole

2-(2-bromo-4-methylphenyl)indazole (PubChem CID 166446141) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)indazole.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)indazole
PubChem CID166446141
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-(2-bromo-4-methylphenyl)indazole
SMILESCc1ccc(-n2cc3ccccc3n2)c(Br)c1
InChIInChI=1S/C14H11BrN2/c1-10-6-7-14(12(15)8-10)17-9-11-4-2-3-5-13(11)16-17/h2-9H,1H3
InChIKeyITAOIXRJZLUQHN-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)indazole?
The IUPAC name of 2-(2-bromo-4-methylphenyl)indazole (CID 166446141) is 2-(2-bromo-4-methylphenyl)indazole.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)indazole?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)indazole is Cc1ccc(-n2cc3ccccc3n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)indazole?
The InChIKey is ITAOIXRJZLUQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-6-7-14(12(15)8-10)17-9-11-4-2-3-5-13(11)16-17/h2-9H,1H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)indazole?
2-(2-bromo-4-methylphenyl)indazole has a molecular weight of 287.16 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)indazole is sourced from PubChem (CID 166446141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).