6-bromo-1-(3-methylphenyl)indazole

C14H11BrN2 — CID 142432399

IUPAC6-bromo-1-(3-methylphenyl)indazole
SMILESCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H11BrN2/c1-10-3-2-4-13(7-10)17-14-8-12(15)6-5-11(14)9-16-17/h2-9H,1H3
InChIKeyDREXMQFFOYIOKU-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.10
Rot. Bonds1

About 6-bromo-1-(3-methylphenyl)indazole

6-bromo-1-(3-methylphenyl)indazole (PubChem CID 142432399) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-1-(3-methylphenyl)indazole.

Molecular Properties

Compound Name6-bromo-1-(3-methylphenyl)indazole
PubChem CID142432399
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name6-bromo-1-(3-methylphenyl)indazole
SMILESCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H11BrN2/c1-10-3-2-4-13(7-10)17-14-8-12(15)6-5-11(14)9-16-17/h2-9H,1H3
InChIKeyDREXMQFFOYIOKU-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 6-bromo-1-(3-methylphenyl)indazole?
The IUPAC name of 6-bromo-1-(3-methylphenyl)indazole (CID 142432399) is 6-bromo-1-(3-methylphenyl)indazole.
What is the SMILES notation for 6-bromo-1-(3-methylphenyl)indazole?
The canonical SMILES for 6-bromo-1-(3-methylphenyl)indazole is Cc1cccc(-n2ncc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-1-(3-methylphenyl)indazole?
The InChIKey is DREXMQFFOYIOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-3-2-4-13(7-10)17-14-8-12(15)6-5-11(14)9-16-17/h2-9H,1H3.
What are the key properties of 6-bromo-1-(3-methylphenyl)indazole?
6-bromo-1-(3-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 6-bromo-1-(3-methylphenyl)indazole is sourced from PubChem (CID 142432399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).