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

C12H4Cl4F3N — CID 134636130

IUPAC3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H4Cl4F3N/c13-7-2-1-5(8(14)10(7)16)6-3-4-20-11(9(6)15)12(17,18)19/h1-4H
InChIKeyIWRHRNSHMBGFIY-UHFFFAOYSA-N
MW360.98 g/mol
LogP6.38
Rot. Bonds1

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

3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine (PubChem CID 134636130) has the molecular formula C12H4Cl4F3N and a molecular weight of 360.98 g/mol. Its IUPAC name is 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
PubChem CID134636130
Molecular FormulaC12H4Cl4F3N
Molecular Weight360.98 g/mol
Exact Mass358.90
IUPAC Name3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H4Cl4F3N/c13-7-2-1-5(8(14)10(7)16)6-3-4-20-11(9(6)15)12(17,18)19/h1-4H
InChIKeyIWRHRNSHMBGFIY-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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 133090078
3-iodo-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626966
3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134637890
2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 119004079
4-(bromomethyl)-3-chloro-2-(trifluoromethyl)pyridine
CID 118704131
4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol
CID 133092449
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
CID 174313071
2-[2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118824848
[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636826
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine (CID 134636130) is 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1nccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl.
What is the InChIKey of 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is IWRHRNSHMBGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F3N/c13-7-2-1-5(8(14)10(7)16)6-3-4-20-11(9(6)15)12(17,18)19/h1-4H.
What are the key properties of 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine?
3-chloro-4-(2,3,4-trichlorophenyl)-2-(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 3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134636130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).