2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine

C12H4Cl4F3N — CID 119021738

IUPAC2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl4F3N/c13-8-1-5(2-9(14)11(8)16)6-3-10(15)20-4-7(6)12(17,18)19/h1-4H
InChIKeyHVVHMKLHENQODJ-UHFFFAOYSA-N
MW360.98 g/mol
LogP6.38
Rot. Bonds1

About 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine

2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine (PubChem CID 119021738) has the molecular formula C12H4Cl4F3N and a molecular weight of 360.98 g/mol. Its IUPAC name is 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
PubChem CID119021738
Molecular FormulaC12H4Cl4F3N
Molecular Weight360.98 g/mol
Exact Mass358.90
IUPAC Name2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl4F3N/c13-8-1-5(2-9(14)11(8)16)6-3-10(15)20-4-7(6)12(17,18)19/h1-4H
InChIKeyHVVHMKLHENQODJ-UHFFFAOYSA-N
XLogP6.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.98
LogP ≤ 56.38
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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Related Compounds

2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
CID 164939632
2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
3-(3,4,5-trichlorophenyl)-4,5-bis(trifluoromethyl)pyridine
CID 118850830
3,4-bis(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134635947
2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine
CID 118999375
4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133092434
2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118847643
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620758
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
CID 134622946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine (CID 119021738) is 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is HVVHMKLHENQODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F3N/c13-8-1-5(2-9(14)11(8)16)6-3-10(15)20-4-7(6)12(17,18)19/h1-4H.
What are the key properties of 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 360.98 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 119021738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).