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

C16H7F5N2 — CID 58975830

IUPAC5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine
SMILESFc1c(F)c(F)c(-c2ccc(-c3ccccn3)nc2)c(F)c1F
InChIInChI=1S/C16H7F5N2/c17-12-11(13(18)15(20)16(21)14(12)19)8-4-5-10(23-7-8)9-3-1-2-6-22-9/h1-7H
InChIKeyFNELUMXJWCPDNP-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.51
Rot. Bonds2

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

5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine (PubChem CID 58975830) has the molecular formula C16H7F5N2 and a molecular weight of 322.24 g/mol. Its IUPAC name is 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine
PubChem CID58975830
Molecular FormulaC16H7F5N2
Molecular Weight322.24 g/mol
Exact Mass322.05
IUPAC Name5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine
SMILESFc1c(F)c(F)c(-c2ccc(-c3ccccn3)nc2)c(F)c1F
InChIInChI=1S/C16H7F5N2/c17-12-11(13(18)15(20)16(21)14(12)19)8-4-5-10(23-7-8)9-3-1-2-6-22-9/h1-7H
InChIKeyFNELUMXJWCPDNP-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.51
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine?
The IUPAC name of 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine (CID 58975830) is 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine is Fc1c(F)c(F)c(-c2ccc(-c3ccccn3)nc2)c(F)c1F.
What is the InChIKey of 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine?
The InChIKey is FNELUMXJWCPDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F5N2/c17-12-11(13(18)15(20)16(21)14(12)19)8-4-5-10(23-7-8)9-3-1-2-6-22-9/h1-7H.
What are the key properties of 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine?
5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine has a molecular weight of 322.24 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5,6-pentafluorophenyl)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 58975830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).