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

C11Cl5F4N — CID 133090102

IUPAC2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESFc1nc(F)c(F)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1F
InChIInChI=1S/C11Cl5F4N/c12-3-1(4(13)6(15)7(16)5(3)14)2-8(17)10(19)21-11(20)9(2)18
InChIKeyPYMYNNPMUUVCFR-UHFFFAOYSA-N
MW399.39 g/mol
LogP6.57
Rot. Bonds1

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

2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine (PubChem CID 133090102) has the molecular formula C11Cl5F4N and a molecular weight of 399.39 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
PubChem CID133090102
Molecular FormulaC11Cl5F4N
Molecular Weight399.39 g/mol
Exact Mass396.84
IUPAC Name2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESFc1nc(F)c(F)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1F
InChIInChI=1S/C11Cl5F4N/c12-3-1(4(13)6(15)7(16)5(3)14)2-8(17)10(19)21-11(20)9(2)18
InChIKeyPYMYNNPMUUVCFR-UHFFFAOYSA-N
XLogP6.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.39
LogP ≤ 56.57
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_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 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine (CID 133090102) is 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine is Fc1nc(F)c(F)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The InChIKey is PYMYNNPMUUVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11Cl5F4N/c12-3-1(4(13)6(15)7(16)5(3)14)2-8(17)10(19)21-11(20)9(2)18.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine has a molecular weight of 399.39 g/mol, XLogP of 6.57, 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-(2,3,4,5,6-pentachlorophenyl)pyridine is sourced from PubChem (CID 133090102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).