3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

C14H6F7N3 — CID 12531796

IUPAC3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2[nH]nc3nc(C(F)(F)F)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C14H6F7N3/c15-7-3-1-6(2-4-7)11-10-8(13(16,17)18)5-9(14(19,20)21)22-12(10)24-23-11/h1-5H,(H,22,23,24)
InChIKeyKGEXSCSONVNYHF-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.80
Rot. Bonds1

About 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 12531796) has the molecular formula C14H6F7N3 and a molecular weight of 349.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID12531796
Molecular FormulaC14H6F7N3
Molecular Weight349.21 g/mol
Exact Mass349.04
IUPAC Name3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2[nH]nc3nc(C(F)(F)F)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C14H6F7N3/c15-7-3-1-6(2-4-7)11-10-8(13(16,17)18)5-9(14(19,20)21)22-12(10)24-23-11/h1-5H,(H,22,23,24)
InChIKeyKGEXSCSONVNYHF-UHFFFAOYSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (CID 12531796) is 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2[nH]nc3nc(C(F)(F)F)cc(C(F)(F)F)c23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KGEXSCSONVNYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F7N3/c15-7-3-1-6(2-4-7)11-10-8(13(16,17)18)5-9(14(19,20)21)22-12(10)24-23-11/h1-5H,(H,22,23,24).
What are the key properties of 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 349.21 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 12531796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).