6-bromo-3,5-dimethyl-2H-indazole;ethane

C11H15BrN2 — CID 178017805

IUPAC6-bromo-3,5-dimethyl-2H-indazole;ethane
SMILESCC.Cc1cc2c(C)[nH]nc2cc1Br
InChIInChI=1S/C9H9BrN2.C2H6/c1-5-3-7-6(2)11-12-9(7)4-8(5)10;1-2/h3-4H,1-2H3,(H,11,12);1-2H3
InChIKeyDCDTVGDTNWHIGM-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.97
Rot. Bonds

About 6-bromo-3,5-dimethyl-2H-indazole;ethane

6-bromo-3,5-dimethyl-2H-indazole;ethane (PubChem CID 178017805) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 6-bromo-3,5-dimethyl-2H-indazole;ethane.

Molecular Properties

Compound Name6-bromo-3,5-dimethyl-2H-indazole;ethane
PubChem CID178017805
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name6-bromo-3,5-dimethyl-2H-indazole;ethane
SMILESCC.Cc1cc2c(C)[nH]nc2cc1Br
InChIInChI=1S/C9H9BrN2.C2H6/c1-5-3-7-6(2)11-12-9(7)4-8(5)10;1-2/h3-4H,1-2H3,(H,11,12);1-2H3
InChIKeyDCDTVGDTNWHIGM-UHFFFAOYSA-N
XLogP3.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-5-methoxy-3-methyl-2H-indazole
CID 176567040
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116
5-cyclopropyl-3,6-dimethyl-2H-indazole
CID 177150183
ethane;3-methyl-2H-indazol-6-ol
CID 144952867
ethane;6-fluoro-3-methyl-2H-indazole
CID 145099326
5-amino-3-methyl-2H-indazole-6-carboxylic acid
CID 84719636
3,6-dimethyl-2H-pyrazolo[4,3-c]pyridine
CID 58047438
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
3-iodo-6-methyl-2H-indazol-5-amine
CID 24729252
3,6-dimethyl-2H-pyrazolo[4,3-c]pyridine;molecular hydrogen
CID 144598952
3-chloro-5,6-dimethyl-2H-indazole
CID 130053419
5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde
CID 131048969

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,5-dimethyl-2H-indazole;ethane?
The IUPAC name of 6-bromo-3,5-dimethyl-2H-indazole;ethane (CID 178017805) is 6-bromo-3,5-dimethyl-2H-indazole;ethane.
What is the SMILES notation for 6-bromo-3,5-dimethyl-2H-indazole;ethane?
The canonical SMILES for 6-bromo-3,5-dimethyl-2H-indazole;ethane is CC.Cc1cc2c(C)[nH]nc2cc1Br.
What is the InChIKey of 6-bromo-3,5-dimethyl-2H-indazole;ethane?
The InChIKey is DCDTVGDTNWHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2.C2H6/c1-5-3-7-6(2)11-12-9(7)4-8(5)10;1-2/h3-4H,1-2H3,(H,11,12);1-2H3.
What are the key properties of 6-bromo-3,5-dimethyl-2H-indazole;ethane?
6-bromo-3,5-dimethyl-2H-indazole;ethane has a molecular weight of 255.16 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,5-dimethyl-2H-indazole;ethane is sourced from PubChem (CID 178017805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).