6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole

C12H12BrFN2O — CID 176566043

IUPAC6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole
SMILESCc1nn(C2CCOC2)c2cc(Br)cc(F)c12
InChIInChI=1S/C12H12BrFN2O/c1-7-12-10(14)4-8(13)5-11(12)16(15-7)9-2-3-17-6-9/h4-5,9H,2-3,6H2,1H3
InChIKeyHSLQYSSDQCAUDT-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.21
Rot. Bonds1

About 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole

6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole (PubChem CID 176566043) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole.

Molecular Properties

Compound Name6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole
PubChem CID176566043
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole
SMILESCc1nn(C2CCOC2)c2cc(Br)cc(F)c12
InChIInChI=1S/C12H12BrFN2O/c1-7-12-10(14)4-8(13)5-11(12)16(15-7)9-2-3-17-6-9/h4-5,9H,2-3,6H2,1H3
InChIKeyHSLQYSSDQCAUDT-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole?
The IUPAC name of 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole (CID 176566043) is 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole.
What is the SMILES notation for 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole?
The canonical SMILES for 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole is Cc1nn(C2CCOC2)c2cc(Br)cc(F)c12.
What is the InChIKey of 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole?
The InChIKey is HSLQYSSDQCAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-7-12-10(14)4-8(13)5-11(12)16(15-7)9-2-3-17-6-9/h4-5,9H,2-3,6H2,1H3.
What are the key properties of 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole?
6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole has a molecular weight of 299.14 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-3-methyl-1-(oxolan-3-yl)indazole is sourced from PubChem (CID 176566043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).