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

C11H10BrF3N2 — CID 134457740

IUPAC7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1cc2ccc(C(F)(F)F)c(Br)n2n1
InChIInChI=1S/C11H10BrF3N2/c1-6(2)9-5-7-3-4-8(11(13,14)15)10(12)17(7)16-9/h3-6H,1-2H3
InChIKeyBMVINQFHQNVAQD-UHFFFAOYSA-N
MW307.11 g/mol
LogP4.24
Rot. Bonds1

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

7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 134457740) has the molecular formula C11H10BrF3N2 and a molecular weight of 307.11 g/mol. Its IUPAC name is 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID134457740
Molecular FormulaC11H10BrF3N2
Molecular Weight307.11 g/mol
Exact Mass306.00
IUPAC Name7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1cc2ccc(C(F)(F)F)c(Br)n2n1
InChIInChI=1S/C11H10BrF3N2/c1-6(2)9-5-7-3-4-8(11(13,14)15)10(12)17(7)16-9/h3-6H,1-2H3
InChIKeyBMVINQFHQNVAQD-UHFFFAOYSA-N
XLogP4.24
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 54.24
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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Related Compounds

6-Bromo-5-methylpyrazolo(1,5-a)pyridine
CID 58486738
4-Bromo-5-methylpyrazolo[1,5-a]pyridine
CID 58487398
3-Bromo-5-methylpyrazolo[1,5-a]pyridine
CID 83680672
3-Bromo-6-methylpyrazolo(1,5-a)pyridine
CID 129981377
3-Bromo-6,7-dimethylpyrazolo(1,5-a)pyridine
CID 122164230
3-Bromo-4-methylpyrazolo(1,5-a)pyridine
CID 129981362
4-Bromo-6,7-dimethylpyrazolo(1,5-a)pyridine
CID 146050316
3-bromo-1-(trifluoromethyl)-1H-indazole
CID 165999528
7-Bromo-2-ethylpyrazolo[1,5-a]pyridine
CID 21984510
7-Bromo-3-phenyltriazolo[1,5-a]pyridine
CID 101993585
3-Bromo-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-A]pyridine
CID 11337308
3-Bromo-2-(3-fluoro-phenyl)-6-trifluoromethyl-pyrazolo[1,5-a]pyridine
CID 11772769

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 134457740) is 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is CC(C)c1cc2ccc(C(F)(F)F)c(Br)n2n1.
What is the InChIKey of 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is BMVINQFHQNVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2/c1-6(2)9-5-7-3-4-8(11(13,14)15)10(12)17(7)16-9/h3-6H,1-2H3.
What are the key properties of 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 307.11 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134457740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).