5-bromo-6-methyl-2-(oxan-4-yl)indazole

C13H15BrN2O — CID 178165259

IUPAC5-bromo-6-methyl-2-(oxan-4-yl)indazole
SMILESCc1cc2nn(C3CCOCC3)cc2cc1Br
InChIInChI=1S/C13H15BrN2O/c1-9-6-13-10(7-12(9)14)8-16(15-13)11-2-4-17-5-3-11/h6-8,11H,2-5H2,1H3
InChIKeyBIIQOCDIOKHEQN-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.46
Rot. Bonds1

About 5-bromo-6-methyl-2-(oxan-4-yl)indazole

5-bromo-6-methyl-2-(oxan-4-yl)indazole (PubChem CID 178165259) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(oxan-4-yl)indazole.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(oxan-4-yl)indazole
PubChem CID178165259
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-6-methyl-2-(oxan-4-yl)indazole
SMILESCc1cc2nn(C3CCOCC3)cc2cc1Br
InChIInChI=1S/C13H15BrN2O/c1-9-6-13-10(7-12(9)14)8-16(15-13)11-2-4-17-5-3-11/h6-8,11H,2-5H2,1H3
InChIKeyBIIQOCDIOKHEQN-UHFFFAOYSA-N
XLogP3.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(oxan-4-yl)indazole?
The IUPAC name of 5-bromo-6-methyl-2-(oxan-4-yl)indazole (CID 178165259) is 5-bromo-6-methyl-2-(oxan-4-yl)indazole.
What is the SMILES notation for 5-bromo-6-methyl-2-(oxan-4-yl)indazole?
The canonical SMILES for 5-bromo-6-methyl-2-(oxan-4-yl)indazole is Cc1cc2nn(C3CCOCC3)cc2cc1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(oxan-4-yl)indazole?
The InChIKey is BIIQOCDIOKHEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-6-13-10(7-12(9)14)8-16(15-13)11-2-4-17-5-3-11/h6-8,11H,2-5H2,1H3.
What are the key properties of 5-bromo-6-methyl-2-(oxan-4-yl)indazole?
5-bromo-6-methyl-2-(oxan-4-yl)indazole has a molecular weight of 295.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(oxan-4-yl)indazole is sourced from PubChem (CID 178165259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).