3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine

C23Cl15F2N — CID 133089949

IUPAC3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESFc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C23Cl15F2N/c24-5-1(6(25)12(31)17(36)11(5)30)2-20(39)22(3-7(26)13(32)18(37)14(33)8(3)27)41-23(21(2)40)4-9(28)15(34)19(38)16(35)10(4)29
InChIKeyUUEUKBIOYYWZEY-UHFFFAOYSA-N
MW860.05 g/mol
LogP16.16
Rot. Bonds3

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

3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine (PubChem CID 133089949) has the molecular formula C23Cl15F2N and a molecular weight of 860.05 g/mol. Its IUPAC name is 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine.

Molecular Properties

Compound Name3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine
PubChem CID133089949
Molecular FormulaC23Cl15F2N
Molecular Weight860.05 g/mol
Exact Mass852.53
IUPAC Name3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESFc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C23Cl15F2N/c24-5-1(6(25)12(31)17(36)11(5)30)2-20(39)22(3-7(26)13(32)18(37)14(33)8(3)27)41-23(21(2)40)4-9(28)15(34)19(38)16(35)10(4)29
InChIKeyUUEUKBIOYYWZEY-UHFFFAOYSA-N
XLogP16.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.05
LogP ≤ 516.16
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

2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133090102
2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine
CID 133090494
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927
2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
CID 58820640
1,2,3,4,5-pentachloro-6-[2,3,4,6-tetrachloro-5-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene
CID 6451882
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133090011
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)
CID 175554387
2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 118993970
1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene
CID 175475336
4,5,6,7-tetrachloro-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]isoindole-1,3-dione
CID 3587841

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine?
The IUPAC name of 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine (CID 133089949) is 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine.
What is the SMILES notation for 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine?
The canonical SMILES for 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine is Fc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine?
The InChIKey is UUEUKBIOYYWZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23Cl15F2N/c24-5-1(6(25)12(31)17(36)11(5)30)2-20(39)22(3-7(26)13(32)18(37)14(33)8(3)27)41-23(21(2)40)4-9(28)15(34)19(38)16(35)10(4)29.
What are the key properties of 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine?
3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine has a molecular weight of 860.05 g/mol, XLogP of 16.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine is sourced from PubChem (CID 133089949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).