2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine

C18H11F4N — CID 58224566

IUPAC2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine
SMILESCc1c(F)c(F)c(F)c(F)c1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H11F4N/c1-10-14(16(20)18(22)17(21)15(10)19)12-7-8-13(23-9-12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyAFVBJPKAPAMEOI-UHFFFAOYSA-N
MW317.29 g/mol
LogP5.28
Rot. Bonds2

About 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine

2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine (PubChem CID 58224566) has the molecular formula C18H11F4N and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine.

Molecular Properties

Compound Name2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine
PubChem CID58224566
Molecular FormulaC18H11F4N
Molecular Weight317.29 g/mol
Exact Mass317.08
IUPAC Name2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine
SMILESCc1c(F)c(F)c(F)c(F)c1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H11F4N/c1-10-14(16(20)18(22)17(21)15(10)19)12-7-8-13(23-9-12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyAFVBJPKAPAMEOI-UHFFFAOYSA-N
XLogP5.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.29
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
2-Isobutylpyridine
CID 61385

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine?
The IUPAC name of 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine (CID 58224566) is 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine.
What is the SMILES notation for 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine?
The canonical SMILES for 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine is Cc1c(F)c(F)c(F)c(F)c1-c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine?
The InChIKey is AFVBJPKAPAMEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N/c1-10-14(16(20)18(22)17(21)15(10)19)12-7-8-13(23-9-12)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine?
2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine has a molecular weight of 317.29 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine is sourced from PubChem (CID 58224566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).