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

C12H4Cl4F3N — CID 118990546

IUPAC2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(-c2cc(Cl)c(Cl)cc2Cl)ccnc1Cl
InChIInChI=1S/C12H4Cl4F3N/c13-7-4-9(15)8(14)3-6(7)5-1-2-20-11(16)10(5)12(17,18)19/h1-4H
InChIKeyPVZZWMIDGWYDEZ-UHFFFAOYSA-N
MW360.98 g/mol
LogP6.38
Rot. Bonds1

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

2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 118990546) has the molecular formula C12H4Cl4F3N and a molecular weight of 360.98 g/mol. Its IUPAC name is 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
PubChem CID118990546
Molecular FormulaC12H4Cl4F3N
Molecular Weight360.98 g/mol
Exact Mass358.90
IUPAC Name2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(-c2cc(Cl)c(Cl)cc2Cl)ccnc1Cl
InChIInChI=1S/C12H4Cl4F3N/c13-7-4-9(15)8(14)3-6(7)5-1-2-20-11(16)10(5)12(17,18)19/h1-4H
InChIKeyPVZZWMIDGWYDEZ-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_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 133088846
2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
2,3-dichloro-4-(trifluoromethyl)pyridine
CID 15132714
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
2-[3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134621276
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496
3-tert-butyl-2,4-dichloropyridine
CID 152672393
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134627378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (CID 118990546) is 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1c(-c2cc(Cl)c(Cl)cc2Cl)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is PVZZWMIDGWYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F3N/c13-7-4-9(15)8(14)3-6(7)5-1-2-20-11(16)10(5)12(17,18)19/h1-4H.
What are the key properties of 2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
2-chloro-4-(2,4,5-trichlorophenyl)-3-(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-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118990546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).