6-bromo-5-fluoro-1-(oxan-2-yl)indazole

C12H12BrFN2O — CID 53395670

IUPAC6-bromo-5-fluoro-1-(oxan-2-yl)indazole
SMILESFc1cc2cnn(C3CCCCO3)c2cc1Br
InChIInChI=1S/C12H12BrFN2O/c13-9-6-11-8(5-10(9)14)7-15-16(11)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChIKeyAALBWOZBUDEMEV-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.64
Rot. Bonds1

About 6-bromo-5-fluoro-1-(oxan-2-yl)indazole

6-bromo-5-fluoro-1-(oxan-2-yl)indazole (PubChem CID 53395670) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(oxan-2-yl)indazole
PubChem CID53395670
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name6-bromo-5-fluoro-1-(oxan-2-yl)indazole
SMILESFc1cc2cnn(C3CCCCO3)c2cc1Br
InChIInChI=1S/C12H12BrFN2O/c13-9-6-11-8(5-10(9)14)7-15-16(11)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChIKeyAALBWOZBUDEMEV-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(oxan-2-yl)indazole?
The IUPAC name of 6-bromo-5-fluoro-1-(oxan-2-yl)indazole (CID 53395670) is 6-bromo-5-fluoro-1-(oxan-2-yl)indazole.
What is the SMILES notation for 6-bromo-5-fluoro-1-(oxan-2-yl)indazole?
The canonical SMILES for 6-bromo-5-fluoro-1-(oxan-2-yl)indazole is Fc1cc2cnn(C3CCCCO3)c2cc1Br.
What is the InChIKey of 6-bromo-5-fluoro-1-(oxan-2-yl)indazole?
The InChIKey is AALBWOZBUDEMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c13-9-6-11-8(5-10(9)14)7-15-16(11)12-3-1-2-4-17-12/h5-7,12H,1-4H2.
What are the key properties of 6-bromo-5-fluoro-1-(oxan-2-yl)indazole?
6-bromo-5-fluoro-1-(oxan-2-yl)indazole has a molecular weight of 299.14 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-(oxan-2-yl)indazole is sourced from PubChem (CID 53395670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).