6-bromo-4-fluoro-1,3-dimethylindazole;ethane

C11H14BrFN2 — CID 176567002

IUPAC6-bromo-4-fluoro-1,3-dimethylindazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)cc(F)c12
InChIInChI=1S/C9H8BrFN2.C2H6/c1-5-9-7(11)3-6(10)4-8(9)13(2)12-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyUTNPUBUBQRRVBN-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.81
Rot. Bonds

About 6-bromo-4-fluoro-1,3-dimethylindazole;ethane

6-bromo-4-fluoro-1,3-dimethylindazole;ethane (PubChem CID 176567002) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1,3-dimethylindazole;ethane.

Molecular Properties

Compound Name6-bromo-4-fluoro-1,3-dimethylindazole;ethane
PubChem CID176567002
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name6-bromo-4-fluoro-1,3-dimethylindazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)cc(F)c12
InChIInChI=1S/C9H8BrFN2.C2H6/c1-5-9-7(11)3-6(10)4-8(9)13(2)12-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyUTNPUBUBQRRVBN-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1,3-dimethylindazole;ethane?
The IUPAC name of 6-bromo-4-fluoro-1,3-dimethylindazole;ethane (CID 176567002) is 6-bromo-4-fluoro-1,3-dimethylindazole;ethane.
What is the SMILES notation for 6-bromo-4-fluoro-1,3-dimethylindazole;ethane?
The canonical SMILES for 6-bromo-4-fluoro-1,3-dimethylindazole;ethane is CC.Cc1nn(C)c2cc(Br)cc(F)c12.
What is the InChIKey of 6-bromo-4-fluoro-1,3-dimethylindazole;ethane?
The InChIKey is UTNPUBUBQRRVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2.C2H6/c1-5-9-7(11)3-6(10)4-8(9)13(2)12-5;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 6-bromo-4-fluoro-1,3-dimethylindazole;ethane?
6-bromo-4-fluoro-1,3-dimethylindazole;ethane has a molecular weight of 273.15 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-1,3-dimethylindazole;ethane is sourced from PubChem (CID 176567002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).