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

C12H6Cl3F3N2 — CID 119002817

IUPAC4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H6Cl3F3N2/c13-6-3-7(11(15)8(14)4-6)5-1-9(12(16,17)18)20-10(19)2-5/h1-4H,(H2,19,20)
InChIKeyIUNFMSYKIKBXIH-UHFFFAOYSA-N
MW341.55 g/mol
LogP5.31
Rot. Bonds1

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

4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 119002817) has the molecular formula C12H6Cl3F3N2 and a molecular weight of 341.55 g/mol. Its IUPAC name is 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID119002817
Molecular FormulaC12H6Cl3F3N2
Molecular Weight341.55 g/mol
Exact Mass339.95
IUPAC Name4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H6Cl3F3N2/c13-6-3-7(11(15)8(14)4-6)5-1-9(12(16,17)18)20-10(19)2-5/h1-4H,(H2,19,20)
InChIKeyIUNFMSYKIKBXIH-UHFFFAOYSA-N
XLogP5.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.55
LogP ≤ 55.31
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

4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
4-chloro-2-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 118839102
2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
CID 134636944
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine (CID 119002817) is 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine is Nc1cc(-c2cc(Cl)cc(Cl)c2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IUNFMSYKIKBXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3F3N2/c13-6-3-7(11(15)8(14)4-6)5-1-9(12(16,17)18)20-10(19)2-5/h1-4H,(H2,19,20).
What are the key properties of 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 341.55 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119002817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).