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

C12HCl5F5N — CID 118993970

IUPAC2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12HCl5F5N/c13-6-5(7(14)9(16)10(17)8(6)15)4-2(18)1-3(12(20,21)22)23-11(4)19/h1H
InChIKeyYBZBWXIUJPJARC-UHFFFAOYSA-N
MW431.40 g/mol
LogP7.31
Rot. Bonds1

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

2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 118993970) has the molecular formula C12HCl5F5N and a molecular weight of 431.40 g/mol. Its IUPAC name is 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID118993970
Molecular FormulaC12HCl5F5N
Molecular Weight431.40 g/mol
Exact Mass428.85
IUPAC Name2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12HCl5F5N/c13-6-5(7(14)9(16)10(17)8(6)15)4-2(18)1-3(12(20,21)22)23-11(4)19/h1H
InChIKeyYBZBWXIUJPJARC-UHFFFAOYSA-N
XLogP7.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.40
LogP ≤ 57.31
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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Related Compounds

2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine
CID 133088650
2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine
CID 118993536
2,3,4-trifluoro-6-(trifluoromethyl)pyridine
CID 46317997
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133090102
2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694906
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
CID 43668790
4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine (CID 118993970) is 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine is Fc1cc(C(F)(F)F)nc(F)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is YBZBWXIUJPJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HCl5F5N/c13-6-5(7(14)9(16)10(17)8(6)15)4-2(18)1-3(12(20,21)22)23-11(4)19/h1H.
What are the key properties of 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 431.40 g/mol, XLogP of 7.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118993970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).