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

C12H7F4N — CID 11715682

IUPAC2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C12H7F4N/c1-6-2-4-7(5-3-6)8-9(13)11(15)17-12(16)10(8)14/h2-5H,1H3
InChIKeyOAAGYRQDOHCEEJ-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.61
Rot. Bonds1

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

2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine (PubChem CID 11715682) has the molecular formula C12H7F4N and a molecular weight of 241.19 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine
PubChem CID11715682
Molecular FormulaC12H7F4N
Molecular Weight241.19 g/mol
Exact Mass241.05
IUPAC Name2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C12H7F4N/c1-6-2-4-7(5-3-6)8-9(13)11(15)17-12(16)10(8)14/h2-5H,1H3
InChIKeyOAAGYRQDOHCEEJ-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine (CID 11715682) is 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine is Cc1ccc(-c2c(F)c(F)nc(F)c2F)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine?
The InChIKey is OAAGYRQDOHCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N/c1-6-2-4-7(5-3-6)8-9(13)11(15)17-12(16)10(8)14/h2-5H,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine?
2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine has a molecular weight of 241.19 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(4-methylphenyl)pyridine is sourced from PubChem (CID 11715682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).