3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C8H3F3N4 — CID 146162618

IUPAC3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2n[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C8H3F3N4/c9-8(10,11)6-5-1-4(2-12)3-13-7(5)15-14-6/h1,3H,(H,13,14,15)
InChIKeyYTUDBBMBZAPLCB-UHFFFAOYSA-N
MW212.13 g/mol
LogP1.85
Rot. Bonds

About 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 146162618) has the molecular formula C8H3F3N4 and a molecular weight of 212.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID146162618
Molecular FormulaC8H3F3N4
Molecular Weight212.13 g/mol
Exact Mass212.03
IUPAC Name3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2n[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C8H3F3N4/c9-8(10,11)6-5-1-4(2-12)3-13-7(5)15-14-6/h1,3H,(H,13,14,15)
InChIKeyYTUDBBMBZAPLCB-UHFFFAOYSA-N
XLogP1.85
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 146162618) is 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1cnc2n[nH]c(C(F)(F)F)c2c1.
What is the InChIKey of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is YTUDBBMBZAPLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N4/c9-8(10,11)6-5-1-4(2-12)3-13-7(5)15-14-6/h1,3H,(H,13,14,15).
What are the key properties of 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 212.13 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 146162618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).