5-bromo-6-methyl-1-phenylindazole

C14H11BrN2 — CID 11818523

IUPAC5-bromo-6-methyl-1-phenylindazole
SMILESCc1cc2c(cnn2-c2ccccc2)cc1Br
InChIInChI=1S/C14H11BrN2/c1-10-7-14-11(8-13(10)15)9-16-17(14)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyUTGHWPPINSVIKA-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.10
Rot. Bonds1

About 5-bromo-6-methyl-1-phenylindazole

5-bromo-6-methyl-1-phenylindazole (PubChem CID 11818523) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-1-phenylindazole.

Molecular Properties

Compound Name5-bromo-6-methyl-1-phenylindazole
PubChem CID11818523
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name5-bromo-6-methyl-1-phenylindazole
SMILESCc1cc2c(cnn2-c2ccccc2)cc1Br
InChIInChI=1S/C14H11BrN2/c1-10-7-14-11(8-13(10)15)9-16-17(14)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyUTGHWPPINSVIKA-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 5-bromo-6-methyl-1-phenylindazole?
The IUPAC name of 5-bromo-6-methyl-1-phenylindazole (CID 11818523) is 5-bromo-6-methyl-1-phenylindazole.
What is the SMILES notation for 5-bromo-6-methyl-1-phenylindazole?
The canonical SMILES for 5-bromo-6-methyl-1-phenylindazole is Cc1cc2c(cnn2-c2ccccc2)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-1-phenylindazole?
The InChIKey is UTGHWPPINSVIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-7-14-11(8-13(10)15)9-16-17(14)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 5-bromo-6-methyl-1-phenylindazole?
5-bromo-6-methyl-1-phenylindazole 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 5-bromo-6-methyl-1-phenylindazole is sourced from PubChem (CID 11818523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).