3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

C7H4F3N3 — CID 53439479

IUPAC3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1[nH]nc2ncccc12
InChIInChI=1S/C7H4F3N3/c8-7(9,10)5-4-2-1-3-11-6(4)13-12-5/h1-3H,(H,11,12,13)
InChIKeyTVDKAMJFPZJIKB-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.98
Rot. Bonds

About 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 53439479) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID53439479
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1[nH]nc2ncccc12
InChIInChI=1S/C7H4F3N3/c8-7(9,10)5-4-2-1-3-11-6(4)13-12-5/h1-3H,(H,11,12,13)
InChIKeyTVDKAMJFPZJIKB-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (CID 53439479) is 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is FC(F)(F)c1[nH]nc2ncccc12.
What is the InChIKey of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is TVDKAMJFPZJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c8-7(9,10)5-4-2-1-3-11-6(4)13-12-5/h1-3H,(H,11,12,13).
What are the key properties of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 187.12 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 53439479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).