5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole

C11H12BrFN2 — CID 135202630

IUPAC5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole
SMILESCC(C)c1c2c(F)c(Br)ccc2nn1C
InChIInChI=1S/C11H12BrFN2/c1-6(2)11-9-8(14-15(11)3)5-4-7(12)10(9)13/h4-6H,1-3H3
InChIKeyUPIFNWGMQLHROQ-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.60
Rot. Bonds1

About 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole

5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole (PubChem CID 135202630) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole
PubChem CID135202630
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole
SMILESCC(C)c1c2c(F)c(Br)ccc2nn1C
InChIInChI=1S/C11H12BrFN2/c1-6(2)11-9-8(14-15(11)3)5-4-7(12)10(9)13/h4-6H,1-3H3
InChIKeyUPIFNWGMQLHROQ-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole (CID 135202630) is 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole is CC(C)c1c2c(F)c(Br)ccc2nn1C.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole?
The InChIKey is UPIFNWGMQLHROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2/c1-6(2)11-9-8(14-15(11)3)5-4-7(12)10(9)13/h4-6H,1-3H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole?
5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole has a molecular weight of 271.13 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole is sourced from PubChem (CID 135202630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).