5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C8H5BrF3N3 — CID 84715042

IUPAC5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1nc(C(F)(F)F)c2cc(Br)cnc21
InChIInChI=1S/C8H5BrF3N3/c1-15-7-5(2-4(9)3-13-7)6(14-15)8(10,11)12/h2-3H,1H3
InChIKeyTXELNCFPSXAYND-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.75
Rot. Bonds

About 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine

5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 84715042) has the molecular formula C8H5BrF3N3 and a molecular weight of 280.05 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID84715042
Molecular FormulaC8H5BrF3N3
Molecular Weight280.05 g/mol
Exact Mass278.96
IUPAC Name5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1nc(C(F)(F)F)c2cc(Br)cnc21
InChIInChI=1S/C8H5BrF3N3/c1-15-7-5(2-4(9)3-13-7)6(14-15)8(10,11)12/h2-3H,1H3
InChIKeyTXELNCFPSXAYND-UHFFFAOYSA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 84715042) is 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cn1nc(C(F)(F)F)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is TXELNCFPSXAYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3/c1-15-7-5(2-4(9)3-13-7)6(14-15)8(10,11)12/h2-3H,1H3.
What are the key properties of 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 280.05 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 84715042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).