2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine

C18H7Cl6F3N2 — CID 133086465

IUPAC2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(-c2cc(Cl)c(Cl)cc2Cl)cc(C(F)(F)F)nc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H7Cl6F3N2/c19-9-4-13(23)11(21)1-6(9)7-3-15(18(25,26)27)29-17(16(7)28)8-2-12(22)14(24)5-10(8)20/h1-5H,28H2
InChIKeyYIRJKGYIFKJFLC-UHFFFAOYSA-N
MW520.98 g/mol
LogP8.94
Rot. Bonds2

About 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine

2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 133086465) has the molecular formula C18H7Cl6F3N2 and a molecular weight of 520.98 g/mol. Its IUPAC name is 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID133086465
Molecular FormulaC18H7Cl6F3N2
Molecular Weight520.98 g/mol
Exact Mass517.87
IUPAC Name2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(-c2cc(Cl)c(Cl)cc2Cl)cc(C(F)(F)F)nc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H7Cl6F3N2/c19-9-4-13(23)11(21)1-6(9)7-3-15(18(25,26)27)29-17(16(7)28)8-2-12(22)14(24)5-10(8)20/h1-5H,28H2
InChIKeyYIRJKGYIFKJFLC-UHFFFAOYSA-N
XLogP8.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.98
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624265
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
CID 133092515
5-chloro-7-(trifluoromethyl)-1,8-naphthyridin-2-amine
CID 10514665
2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118990546
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
CID 133088609

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine (CID 133086465) is 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine is Nc1c(-c2cc(Cl)c(Cl)cc2Cl)cc(C(F)(F)F)nc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is YIRJKGYIFKJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7Cl6F3N2/c19-9-4-13(23)11(21)1-6(9)7-3-15(18(25,26)27)29-17(16(7)28)8-2-12(22)14(24)5-10(8)20/h1-5H,28H2.
What are the key properties of 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 520.98 g/mol, XLogP of 8.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 133086465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).