4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole

C9H6BrF3N2 — CID 118992187

IUPAC4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole
SMILESCc1[nH]nc2c(C(F)(F)F)ccc(Br)c12
InChIInChI=1S/C9H6BrF3N2/c1-4-7-6(10)3-2-5(9(11,12)13)8(7)15-14-4/h2-3H,1H3,(H,14,15)
InChIKeyHOXPLUWUSPQESQ-UHFFFAOYSA-N
MW279.06 g/mol
LogP3.65
Rot. Bonds

About 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole

4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole (PubChem CID 118992187) has the molecular formula C9H6BrF3N2 and a molecular weight of 279.06 g/mol. Its IUPAC name is 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Name4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole
PubChem CID118992187
Molecular FormulaC9H6BrF3N2
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole
SMILESCc1[nH]nc2c(C(F)(F)F)ccc(Br)c12
InChIInChI=1S/C9H6BrF3N2/c1-4-7-6(10)3-2-5(9(11,12)13)8(7)15-14-4/h2-3H,1H3,(H,14,15)
InChIKeyHOXPLUWUSPQESQ-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole?
The IUPAC name of 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole (CID 118992187) is 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole?
The canonical SMILES for 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole is Cc1[nH]nc2c(C(F)(F)F)ccc(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole?
The InChIKey is HOXPLUWUSPQESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2/c1-4-7-6(10)3-2-5(9(11,12)13)8(7)15-14-4/h2-3H,1H3,(H,14,15).
What are the key properties of 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole?
4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole has a molecular weight of 279.06 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 118992187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).