4-bromo-1-methyl-7-(trifluoromethyl)indazole

C9H6BrF3N2 — CID 175615684

IUPAC4-bromo-1-methyl-7-(trifluoromethyl)indazole
SMILESCn1ncc2c(Br)ccc(C(F)(F)F)c21
InChIInChI=1S/C9H6BrF3N2/c1-15-8-5(4-14-15)7(10)3-2-6(8)9(11,12)13/h2-4H,1H3
InChIKeyQYIUOLUEJQLIFX-UHFFFAOYSA-N
MW279.06 g/mol
LogP3.35
Rot. Bonds

About 4-bromo-1-methyl-7-(trifluoromethyl)indazole

4-bromo-1-methyl-7-(trifluoromethyl)indazole (PubChem CID 175615684) has the molecular formula C9H6BrF3N2 and a molecular weight of 279.06 g/mol. Its IUPAC name is 4-bromo-1-methyl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name4-bromo-1-methyl-7-(trifluoromethyl)indazole
PubChem CID175615684
Molecular FormulaC9H6BrF3N2
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name4-bromo-1-methyl-7-(trifluoromethyl)indazole
SMILESCn1ncc2c(Br)ccc(C(F)(F)F)c21
InChIInChI=1S/C9H6BrF3N2/c1-15-8-5(4-14-15)7(10)3-2-6(8)9(11,12)13/h2-4H,1H3
InChIKeyQYIUOLUEJQLIFX-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-7-(trifluoromethyl)indazole?
The IUPAC name of 4-bromo-1-methyl-7-(trifluoromethyl)indazole (CID 175615684) is 4-bromo-1-methyl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 4-bromo-1-methyl-7-(trifluoromethyl)indazole?
The canonical SMILES for 4-bromo-1-methyl-7-(trifluoromethyl)indazole is Cn1ncc2c(Br)ccc(C(F)(F)F)c21.
What is the InChIKey of 4-bromo-1-methyl-7-(trifluoromethyl)indazole?
The InChIKey is QYIUOLUEJQLIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2/c1-15-8-5(4-14-15)7(10)3-2-6(8)9(11,12)13/h2-4H,1H3.
What are the key properties of 4-bromo-1-methyl-7-(trifluoromethyl)indazole?
4-bromo-1-methyl-7-(trifluoromethyl)indazole has a molecular weight of 279.06 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 175615684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).