4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine

C9H7BrF3N3 — CID 170772876

IUPAC4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine
SMILESCc1nn(CC(F)(F)F)c2cncc(Br)c12
InChIInChI=1S/C9H7BrF3N3/c1-5-8-6(10)2-14-3-7(8)16(15-5)4-9(11,12)13/h2-3H,4H2,1H3
InChIKeyAXADWELYTSIIJD-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.06
Rot. Bonds1

About 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine

4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine (PubChem CID 170772876) has the molecular formula C9H7BrF3N3 and a molecular weight of 294.07 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine
PubChem CID170772876
Molecular FormulaC9H7BrF3N3
Molecular Weight294.07 g/mol
Exact Mass292.98
IUPAC Name4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine
SMILESCc1nn(CC(F)(F)F)c2cncc(Br)c12
InChIInChI=1S/C9H7BrF3N3/c1-5-8-6(10)2-14-3-7(8)16(15-5)4-9(11,12)13/h2-3H,4H2,1H3
InChIKeyAXADWELYTSIIJD-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine (CID 170772876) is 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine is Cc1nn(CC(F)(F)F)c2cncc(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine?
The InChIKey is AXADWELYTSIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3/c1-5-8-6(10)2-14-3-7(8)16(15-5)4-9(11,12)13/h2-3H,4H2,1H3.
What are the key properties of 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine?
4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine has a molecular weight of 294.07 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 170772876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).