7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C11H8BrF3N2 — CID 134457794

IUPAC7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESFC(F)(F)c1ccc2cc(C3CC3)nn2c1Br
InChIInChI=1S/C11H8BrF3N2/c12-10-8(11(13,14)15)4-3-7-5-9(6-1-2-6)16-17(7)10/h3-6H,1-2H2
InChIKeyJVWBXTMLCRAELF-UHFFFAOYSA-N
MW305.10 g/mol
LogP3.99
Rot. Bonds1

About 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 134457794) has the molecular formula C11H8BrF3N2 and a molecular weight of 305.10 g/mol. Its IUPAC name is 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID134457794
Molecular FormulaC11H8BrF3N2
Molecular Weight305.10 g/mol
Exact Mass303.98
IUPAC Name7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESFC(F)(F)c1ccc2cc(C3CC3)nn2c1Br
InChIInChI=1S/C11H8BrF3N2/c12-10-8(11(13,14)15)4-3-7-5-9(6-1-2-6)16-17(7)10/h3-6H,1-2H2
InChIKeyJVWBXTMLCRAELF-UHFFFAOYSA-N
XLogP3.99
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 134457794) is 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is FC(F)(F)c1ccc2cc(C3CC3)nn2c1Br.
What is the InChIKey of 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is JVWBXTMLCRAELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2/c12-10-8(11(13,14)15)4-3-7-5-9(6-1-2-6)16-17(7)10/h3-6H,1-2H2.
What are the key properties of 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 305.10 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134457794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).