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

C14H6F5N3 — CID 20807150

IUPAC2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1c(F)c(F)c(-c2cc(-c3ccccn3)[nH]n2)c(F)c1F
InChIInChI=1S/C14H6F5N3/c15-10-9(11(16)13(18)14(19)12(10)17)8-5-7(21-22-8)6-3-1-2-4-20-6/h1-5H,(H,21,22)
InChIKeyJLOQTOZQMWDVFJ-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.83
Rot. Bonds2

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

2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 20807150) has the molecular formula C14H6F5N3 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine
PubChem CID20807150
Molecular FormulaC14H6F5N3
Molecular Weight311.21 g/mol
Exact Mass311.05
IUPAC Name2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1c(F)c(F)c(-c2cc(-c3ccccn3)[nH]n2)c(F)c1F
InChIInChI=1S/C14H6F5N3/c15-10-9(11(16)13(18)14(19)12(10)17)8-5-7(21-22-8)6-3-1-2-4-20-6/h1-5H,(H,21,22)
InChIKeyJLOQTOZQMWDVFJ-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
N,N-dimethyl-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 132573611
3-pyridin-2-yl-6-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridazine
CID 59140943
ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine
CID 134268745
1-N,3-N-bis(5-pyridin-2-yl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
CID 102492957
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine (CID 20807150) is 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine is Fc1c(F)c(F)c(-c2cc(-c3ccccn3)[nH]n2)c(F)c1F.
What is the InChIKey of 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is JLOQTOZQMWDVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F5N3/c15-10-9(11(16)13(18)14(19)12(10)17)8-5-7(21-22-8)6-3-1-2-4-20-6/h1-5H,(H,21,22).
What are the key properties of 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine?
2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 311.21 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 20807150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).