4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine

C12H6F6N2 — CID 102716845

IUPAC4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C12H6F6N2/c13-7-4-9(15)8(14)3-6(7)10-1-5(12(16,17)18)2-11(19)20-10/h1-4H,(H2,19,20)
InChIKeyDJFHUVLGHRYSBS-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.77
Rot. Bonds1

About 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine

4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine (PubChem CID 102716845) has the molecular formula C12H6F6N2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine
PubChem CID102716845
Molecular FormulaC12H6F6N2
Molecular Weight292.18 g/mol
Exact Mass292.04
IUPAC Name4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C12H6F6N2/c13-7-4-9(15)8(14)3-6(7)10-1-5(12(16,17)18)2-11(19)20-10/h1-4H,(H2,19,20)
InChIKeyDJFHUVLGHRYSBS-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.77
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

6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102716704
4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine
CID 106768991
6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716854
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908
6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716571
4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
CID 102718784
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716909
6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine
CID 86694420

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine (CID 102716845) is 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(-c2cc(F)c(F)cc2F)n1.
What is the InChIKey of 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
The InChIKey is DJFHUVLGHRYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2/c13-7-4-9(15)8(14)3-6(7)10-1-5(12(16,17)18)2-11(19)20-10/h1-4H,(H2,19,20).
What are the key properties of 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine is sourced from PubChem (CID 102716845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).