5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine

C10H7Br2F3N4 — CID 89472580

IUPAC5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine
SMILESCc1ncc(Cn2nc(Br)c(Br)n2)cc1C(F)(F)F
InChIInChI=1S/C10H7Br2F3N4/c1-5-7(10(13,14)15)2-6(3-16-5)4-19-17-8(11)9(12)18-19/h2-3H,4H2,1H3
InChIKeyFFNTXZCQTDQJLU-UHFFFAOYSA-N
MW400.00 g/mol
LogP3.57
Rot. Bonds2

About 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine

5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 89472580) has the molecular formula C10H7Br2F3N4 and a molecular weight of 400.00 g/mol. Its IUPAC name is 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine
PubChem CID89472580
Molecular FormulaC10H7Br2F3N4
Molecular Weight400.00 g/mol
Exact Mass397.90
IUPAC Name5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine
SMILESCc1ncc(Cn2nc(Br)c(Br)n2)cc1C(F)(F)F
InChIInChI=1S/C10H7Br2F3N4/c1-5-7(10(13,14)15)2-6(3-16-5)4-19-17-8(11)9(12)18-19/h2-3H,4H2,1H3
InChIKeyFFNTXZCQTDQJLU-UHFFFAOYSA-N
XLogP3.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.00
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine (CID 89472580) is 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine is Cc1ncc(Cn2nc(Br)c(Br)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is FFNTXZCQTDQJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2F3N4/c1-5-7(10(13,14)15)2-6(3-16-5)4-19-17-8(11)9(12)18-19/h2-3H,4H2,1H3.
What are the key properties of 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine?
5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 400.00 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 89472580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).