5-bromo-1-methyl-3-(trifluoromethyl)indazole

C9H6BrF3N2 — CID 83669474

IUPAC5-bromo-1-methyl-3-(trifluoromethyl)indazole
SMILESCn1nc(C(F)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C9H6BrF3N2/c1-15-7-3-2-5(10)4-6(7)8(14-15)9(11,12)13/h2-4H,1H3
InChIKeyDYNSPTCEBYUTFL-UHFFFAOYSA-N
MW279.06 g/mol
LogP3.35
Rot. Bonds

About 5-bromo-1-methyl-3-(trifluoromethyl)indazole

5-bromo-1-methyl-3-(trifluoromethyl)indazole (PubChem CID 83669474) has the molecular formula C9H6BrF3N2 and a molecular weight of 279.06 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(trifluoromethyl)indazole
PubChem CID83669474
Molecular FormulaC9H6BrF3N2
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name5-bromo-1-methyl-3-(trifluoromethyl)indazole
SMILESCn1nc(C(F)(F)F)c2cc(Br)ccc21
InChIInChI=1S/C9H6BrF3N2/c1-15-7-3-2-5(10)4-6(7)8(14-15)9(11,12)13/h2-4H,1H3
InChIKeyDYNSPTCEBYUTFL-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 5-bromo-1-methyl-3-(trifluoromethyl)indazole?
The IUPAC name of 5-bromo-1-methyl-3-(trifluoromethyl)indazole (CID 83669474) is 5-bromo-1-methyl-3-(trifluoromethyl)indazole.
What is the SMILES notation for 5-bromo-1-methyl-3-(trifluoromethyl)indazole?
The canonical SMILES for 5-bromo-1-methyl-3-(trifluoromethyl)indazole is Cn1nc(C(F)(F)F)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-3-(trifluoromethyl)indazole?
The InChIKey is DYNSPTCEBYUTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2/c1-15-7-3-2-5(10)4-6(7)8(14-15)9(11,12)13/h2-4H,1H3.
What are the key properties of 5-bromo-1-methyl-3-(trifluoromethyl)indazole?
5-bromo-1-methyl-3-(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 5-bromo-1-methyl-3-(trifluoromethyl)indazole is sourced from PubChem (CID 83669474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).