2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine

C14H6F5N3 — CID 10308505

IUPAC2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine
SMILESFc1c(F)c(F)c(-n2ccc(-c3ccccn3)n2)c(F)c1F
InChIInChI=1S/C14H6F5N3/c15-9-10(16)12(18)14(13(19)11(9)17)22-6-4-8(21-22)7-3-1-2-5-20-7/h1-6H
InChIKeyXNEHRZTXLKVXFE-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.63
Rot. Bonds2

About 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine

2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine (PubChem CID 10308505) has the molecular formula C14H6F5N3 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine
PubChem CID10308505
Molecular FormulaC14H6F5N3
Molecular Weight311.21 g/mol
Exact Mass311.05
IUPAC Name2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine
SMILESFc1c(F)c(F)c(-n2ccc(-c3ccccn3)n2)c(F)c1F
InChIInChI=1S/C14H6F5N3/c15-9-10(16)12(18)14(13(19)11(9)17)22-6-4-8(21-22)7-3-1-2-5-20-7/h1-6H
InChIKeyXNEHRZTXLKVXFE-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine (CID 10308505) is 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine is Fc1c(F)c(F)c(-n2ccc(-c3ccccn3)n2)c(F)c1F.
What is the InChIKey of 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine?
The InChIKey is XNEHRZTXLKVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F5N3/c15-9-10(16)12(18)14(13(19)11(9)17)22-6-4-8(21-22)7-3-1-2-5-20-7/h1-6H.
What are the key properties of 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine?
2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine has a molecular weight of 311.21 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 10308505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).