5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine

C23H14F6N4 — CID 86615452

IUPAC5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)ccn2)cn1
InChIInChI=1S/C23H14F6N4/c24-22(25,26)16-4-1-13(2-5-16)19-10-17(23(27,28)29)11-20(33-19)14-7-8-31-18(9-14)15-3-6-21(30)32-12-15/h1-12H,(H2,30,32)
InChIKeyDKVGROZGPSFJIQ-UHFFFAOYSA-N
MW460.38 g/mol
LogP6.49
Rot. Bonds3

About 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine

5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine (PubChem CID 86615452) has the molecular formula C23H14F6N4 and a molecular weight of 460.38 g/mol. Its IUPAC name is 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine
PubChem CID86615452
Molecular FormulaC23H14F6N4
Molecular Weight460.38 g/mol
Exact Mass460.11
IUPAC Name5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)ccn2)cn1
InChIInChI=1S/C23H14F6N4/c24-22(25,26)16-4-1-13(2-5-16)19-10-17(23(27,28)29)11-20(33-19)14-7-8-31-18(9-14)15-3-6-21(30)32-12-15/h1-12H,(H2,30,32)
InChIKeyDKVGROZGPSFJIQ-UHFFFAOYSA-N
XLogP6.49
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine (CID 86615452) is 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine is Nc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)ccn2)cn1.
What is the InChIKey of 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is DKVGROZGPSFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N4/c24-22(25,26)16-4-1-13(2-5-16)19-10-17(23(27,28)29)11-20(33-19)14-7-8-31-18(9-14)15-3-6-21(30)32-12-15/h1-12H,(H2,30,32).
What are the key properties of 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine?
5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 460.38 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 86615452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).