5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine

C10H6Br2F3N3 — CID 66439480

IUPAC5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1c(CBr)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C10H6Br2F3N3/c11-3-6-4-17-18(9(6)10(13,14)15)8-2-1-7(12)5-16-8/h1-2,4-5H,3H2
InChIKeyIBYUUGDSOCQGEX-UHFFFAOYSA-N
MW384.98 g/mol
LogP3.94
Rot. Bonds2

About 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine

5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 66439480) has the molecular formula C10H6Br2F3N3 and a molecular weight of 384.98 g/mol. Its IUPAC name is 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID66439480
Molecular FormulaC10H6Br2F3N3
Molecular Weight384.98 g/mol
Exact Mass382.89
IUPAC Name5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1c(CBr)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C10H6Br2F3N3/c11-3-6-4-17-18(9(6)10(13,14)15)8-2-1-7(12)5-16-8/h1-2,4-5H,3H2
InChIKeyIBYUUGDSOCQGEX-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.98
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]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-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 66439480) is 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine is FC(F)(F)c1c(CBr)cnn1-c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is IBYUUGDSOCQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2F3N3/c11-3-6-4-17-18(9(6)10(13,14)15)8-2-1-7(12)5-16-8/h1-2,4-5H,3H2.
What are the key properties of 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 384.98 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 66439480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).