1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C9H8F3N3 — CID 44822581

IUPAC1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2cnn(C)c2n1
InChIInChI=1S/C9H8F3N3/c1-5-3-7(9(10,11)12)6-4-13-15(2)8(6)14-5/h3-4H,1-2H3
InChIKeySQEKBXQVUYSUSN-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.30
Rot. Bonds

About 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 44822581) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID44822581
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2cnn(C)c2n1
InChIInChI=1S/C9H8F3N3/c1-5-3-7(9(10,11)12)6-4-13-15(2)8(6)14-5/h3-4H,1-2H3
InChIKeySQEKBXQVUYSUSN-UHFFFAOYSA-N
XLogP2.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]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 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 44822581) is 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is Cc1cc(C(F)(F)F)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is SQEKBXQVUYSUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-5-3-7(9(10,11)12)6-4-13-15(2)8(6)14-5/h3-4H,1-2H3.
What are the key properties of 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 215.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44822581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).