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

C18H7Cl6F3N2 — CID 134624047

IUPAC2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(-c2c(Cl)cc(Cl)cc2Cl)cc(C(F)(F)F)nc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H7Cl6F3N2/c19-6-1-9(21)14(10(22)2-6)8-5-13(18(25,26)27)29-17(16(8)28)15-11(23)3-7(20)4-12(15)24/h1-5H,28H2
InChIKeyHGIDLYQTTFHJRV-UHFFFAOYSA-N
MW520.98 g/mol
LogP8.94
Rot. Bonds2

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

2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 134624047) has the molecular formula C18H7Cl6F3N2 and a molecular weight of 520.98 g/mol. Its IUPAC name is 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID134624047
Molecular FormulaC18H7Cl6F3N2
Molecular Weight520.98 g/mol
Exact Mass517.87
IUPAC Name2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(-c2c(Cl)cc(Cl)cc2Cl)cc(C(F)(F)F)nc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H7Cl6F3N2/c19-6-1-9(21)14(10(22)2-6)8-5-13(18(25,26)27)29-17(16(8)28)15-11(23)3-7(20)4-12(15)24/h1-5H,28H2
InChIKeyHGIDLYQTTFHJRV-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

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Related Compounds

2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 133086465
2-(2,4,6-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134635776
4-chloro-2-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 118839102
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927
4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 119002817
6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624265
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine (CID 134624047) is 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine is Nc1c(-c2c(Cl)cc(Cl)cc2Cl)cc(C(F)(F)F)nc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is HGIDLYQTTFHJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H7Cl6F3N2/c19-6-1-9(21)14(10(22)2-6)8-5-13(18(25,26)27)29-17(16(8)28)15-11(23)3-7(20)4-12(15)24/h1-5H,28H2.
What are the key properties of 2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine?
2,4-bis(2,4,6-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(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 134624047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).