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

C11H2Cl3F4N — CID 134636739

IUPAC2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine
SMILESFc1nc(F)c(F)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1F
InChIInChI=1S/C11H2Cl3F4N/c12-4-1-3(2-5(13)7(4)14)6-8(15)10(17)19-11(18)9(6)16/h1-2H
InChIKeyBXPFOFNMWAXACQ-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.27
Rot. Bonds1

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

2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine (PubChem CID 134636739) has the molecular formula C11H2Cl3F4N and a molecular weight of 330.50 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine
PubChem CID134636739
Molecular FormulaC11H2Cl3F4N
Molecular Weight330.50 g/mol
Exact Mass328.92
IUPAC Name2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine
SMILESFc1nc(F)c(F)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1F
InChIInChI=1S/C11H2Cl3F4N/c12-4-1-3(2-5(13)7(4)14)6-8(15)10(17)19-11(18)9(6)16/h1-2H
InChIKeyBXPFOFNMWAXACQ-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine (CID 134636739) is 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine is Fc1nc(F)c(F)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine?
The InChIKey is BXPFOFNMWAXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2Cl3F4N/c12-4-1-3(2-5(13)7(4)14)6-8(15)10(17)19-11(18)9(6)16/h1-2H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine?
2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine has a molecular weight of 330.50 g/mol, XLogP of 5.27, 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-(3,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134636739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).