5-bromo-4-fluoro-2,7-dimethylindazole;ethane

C11H14BrFN2 — CID 178051017

IUPAC5-bromo-4-fluoro-2,7-dimethylindazole;ethane
SMILESCC.Cc1cc(Br)c(F)c2cn(C)nc12
InChIInChI=1S/C9H8BrFN2.C2H6/c1-5-3-7(10)8(11)6-4-13(2)12-9(5)6;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWETYMJOGVWIYTR-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.81
Rot. Bonds

About 5-bromo-4-fluoro-2,7-dimethylindazole;ethane

5-bromo-4-fluoro-2,7-dimethylindazole;ethane (PubChem CID 178051017) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2,7-dimethylindazole;ethane.

Molecular Properties

Compound Name5-bromo-4-fluoro-2,7-dimethylindazole;ethane
PubChem CID178051017
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name5-bromo-4-fluoro-2,7-dimethylindazole;ethane
SMILESCC.Cc1cc(Br)c(F)c2cn(C)nc12
InChIInChI=1S/C9H8BrFN2.C2H6/c1-5-3-7(10)8(11)6-4-13(2)12-9(5)6;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWETYMJOGVWIYTR-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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Related Compounds

6,7-difluoro-2,4-dimethylindazole
CID 166076527
7-chloro-6-fluoro-2,4-dimethylindazole
CID 166076486
4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole
CID 166076690
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
ethane;2,5,7-trimethylindazole
CID 156845071
7-bromo-6-fluoro-2-methylindazol-5-amine
CID 171792771
4-fluoro-2,5-dimethylpyrazolo[3,4-c]pyridine
CID 178139392
4-bromo-1,3-dimethylpyrazole
CID 12615416
7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
5-bromo-4-chloro-7-fluoro-2-methylindazole;4-chloro-7-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 160825261
4-bromo-3-(bromomethyl)-1-methylpyrazole
CID 67979675
(7-fluoro-2,5-dimethylindazol-6-yl)methanol
CID 176566434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2,7-dimethylindazole;ethane?
The IUPAC name of 5-bromo-4-fluoro-2,7-dimethylindazole;ethane (CID 178051017) is 5-bromo-4-fluoro-2,7-dimethylindazole;ethane.
What is the SMILES notation for 5-bromo-4-fluoro-2,7-dimethylindazole;ethane?
The canonical SMILES for 5-bromo-4-fluoro-2,7-dimethylindazole;ethane is CC.Cc1cc(Br)c(F)c2cn(C)nc12.
What is the InChIKey of 5-bromo-4-fluoro-2,7-dimethylindazole;ethane?
The InChIKey is WETYMJOGVWIYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2.C2H6/c1-5-3-7(10)8(11)6-4-13(2)12-9(5)6;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 5-bromo-4-fluoro-2,7-dimethylindazole;ethane?
5-bromo-4-fluoro-2,7-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 5-bromo-4-fluoro-2,7-dimethylindazole;ethane is sourced from PubChem (CID 178051017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).