6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane

C12H15BrF2N2 — CID 176566236

IUPAC6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)cc(C(F)F)c12
InChIInChI=1S/C10H9BrF2N2.C2H6/c1-5-9-7(10(12)13)3-6(11)4-8(9)15(2)14-5;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeyWIQRBMACWPICBN-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.61
Rot. Bonds1

About 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane

6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane (PubChem CID 176566236) has the molecular formula C12H15BrF2N2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane
PubChem CID176566236
Molecular FormulaC12H15BrF2N2
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)cc(C(F)F)c12
InChIInChI=1S/C10H9BrF2N2.C2H6/c1-5-9-7(10(12)13)3-6(11)4-8(9)15(2)14-5;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeyWIQRBMACWPICBN-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-fluoro-1,3-dimethylindazole;ethane
CID 176567002
[6-bromo-4-(difluoromethyl)-3-methylindazol-1-yl]-iodophosphane;ethane
CID 176566611
6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane
CID 176566976
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
1,3-dimethyl-4-propan-2-ylindazole;ethane
CID 144655945
1,3,4,6-tetramethylindazole
CID 123441801
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
5-bromo-1-(difluoromethyl)-3-methyl-2-nitrobenzene
CID 131166921
6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
6-fluoro-1,3-dimethylindazole
CID 59514053
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 19589925

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane?
The IUPAC name of 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane (CID 176566236) is 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane is CC.Cc1nn(C)c2cc(Br)cc(C(F)F)c12.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane?
The InChIKey is WIQRBMACWPICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2.C2H6/c1-5-9-7(10(12)13)3-6(11)4-8(9)15(2)14-5;1-2/h3-4,10H,1-2H3;1-2H3.
What are the key properties of 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane?
6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane has a molecular weight of 305.17 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane is sourced from PubChem (CID 176566236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).