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

C12H2Cl5F4N — CID 133090076

IUPAC3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H2Cl5F4N/c13-6-5(7(14)9(16)10(17)8(6)15)11-4(18)1-3(2-22-11)12(19,20)21/h1-2H
InChIKeyYPWOZNROKMTNDT-UHFFFAOYSA-N
MW413.41 g/mol
LogP7.17
Rot. Bonds1

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

3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine (PubChem CID 133090076) has the molecular formula C12H2Cl5F4N and a molecular weight of 413.41 g/mol. Its IUPAC name is 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
PubChem CID133090076
Molecular FormulaC12H2Cl5F4N
Molecular Weight413.41 g/mol
Exact Mass410.86
IUPAC Name3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H2Cl5F4N/c13-6-5(7(14)9(16)10(17)8(6)15)11-4(18)1-3(2-22-11)12(19,20)21/h1-2H
InChIKeyYPWOZNROKMTNDT-UHFFFAOYSA-N
XLogP7.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 57.17
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-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826276
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
2-(3,5-dichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118830739
2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
CID 169072353
2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118847643
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
CID 15335409
4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline
CID 56633200
2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 118993970
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 66545196
2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 57361942

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine (CID 133090076) is 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine is Fc1cc(C(F)(F)F)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is YPWOZNROKMTNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2Cl5F4N/c13-6-5(7(14)9(16)10(17)8(6)15)11-4(18)1-3(2-22-11)12(19,20)21/h1-2H.
What are the key properties of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine?
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 413.41 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133090076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).