2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine

C12H4Cl4F3N — CID 119004079

IUPAC2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)n1
InChIInChI=1S/C12H4Cl4F3N/c13-7-3-1-5(9(14)10(7)15)6-2-4-8(12(17,18)19)20-11(6)16/h1-4H
InChIKeySPPDDFFAEVXWJZ-UHFFFAOYSA-N
MW360.98 g/mol
LogP6.38
Rot. Bonds1

About 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine

2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 119004079) has the molecular formula C12H4Cl4F3N and a molecular weight of 360.98 g/mol. Its IUPAC name is 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID119004079
Molecular FormulaC12H4Cl4F3N
Molecular Weight360.98 g/mol
Exact Mass358.90
IUPAC Name2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)n1
InChIInChI=1S/C12H4Cl4F3N/c13-7-3-1-5(9(14)10(7)15)6-2-4-8(12(17,18)19)20-11(6)16/h1-4H
InChIKeySPPDDFFAEVXWJZ-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

3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
2,6-dichloro-3-(2,3,4-trichlorophenyl)pyridine
CID 118997066
2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 119019124
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092420
2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118807924
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 134620909
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine (CID 119004079) is 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is SPPDDFFAEVXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F3N/c13-7-3-1-5(9(14)10(7)15)6-2-4-8(12(17,18)19)20-11(6)16/h1-4H.
What are the key properties of 2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine?
2-chloro-3-(2,3,4-trichlorophenyl)-6-(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-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 119004079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).