4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine

C21H10F5N3 — CID 123874125

IUPAC4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine
SMILESFc1c(F)c(F)c(-c2ccnc(-c3ccccn3)c2-c2ccccn2)c(F)c1F
InChIInChI=1S/C21H10F5N3/c22-16-15(17(23)19(25)20(26)18(16)24)11-7-10-29-21(13-6-2-4-9-28-13)14(11)12-5-1-3-8-27-12/h1-10H
InChIKeyFYWASQKLPGCEGO-UHFFFAOYSA-N
MW399.32 g/mol
LogP5.57
Rot. Bonds3

About 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine

4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine (PubChem CID 123874125) has the molecular formula C21H10F5N3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine
PubChem CID123874125
Molecular FormulaC21H10F5N3
Molecular Weight399.32 g/mol
Exact Mass399.08
IUPAC Name4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine
SMILESFc1c(F)c(F)c(-c2ccnc(-c3ccccn3)c2-c2ccccn2)c(F)c1F
InChIInChI=1S/C21H10F5N3/c22-16-15(17(23)19(25)20(26)18(16)24)11-7-10-29-21(13-6-2-4-9-28-13)14(11)12-5-1-3-8-27-12/h1-10H
InChIKeyFYWASQKLPGCEGO-UHFFFAOYSA-N
XLogP5.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 55.57
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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Related Compounds

5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2,2':6',2''-Terpyridine
CID 70848
2,3-Diphenylpyrazine
CID 243907
2,4'-Bipyridine
CID 68488
BC-1215
CID 72201045
Anabasamine
CID 161313
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
Anabasamine hydrochloride
CID 438950
2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 5376707

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine?
The IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine (CID 123874125) is 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine is Fc1c(F)c(F)c(-c2ccnc(-c3ccccn3)c2-c2ccccn2)c(F)c1F.
What is the InChIKey of 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine?
The InChIKey is FYWASQKLPGCEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F5N3/c22-16-15(17(23)19(25)20(26)18(16)24)11-7-10-29-21(13-6-2-4-9-28-13)14(11)12-5-1-3-8-27-12/h1-10H.
What are the key properties of 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine?
4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine has a molecular weight of 399.32 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentafluorophenyl)-2,3-dipyridin-2-ylpyridine is sourced from PubChem (CID 123874125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).