3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline

C24H18F3N3 — CID 24760585

IUPAC3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3cccc(N)c3)c2)n1
InChIInChI=1S/C24H18F3N3/c1-15-11-19(16-5-7-20(8-6-16)24(25,26)27)14-23(30-15)18-9-10-29-22(13-18)17-3-2-4-21(28)12-17/h2-14H,28H2,1H3
InChIKeySGSSGVBXHNUYRN-UHFFFAOYSA-N
MW405.42 g/mol
LogP6.39
Rot. Bonds3

About 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline

3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline (PubChem CID 24760585) has the molecular formula C24H18F3N3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline.

Molecular Properties

Compound Name3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline
PubChem CID24760585
Molecular FormulaC24H18F3N3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3cccc(N)c3)c2)n1
InChIInChI=1S/C24H18F3N3/c1-15-11-19(16-5-7-20(8-6-16)24(25,26)27)14-23(30-15)18-9-10-29-22(13-18)17-3-2-4-21(28)12-17/h2-14H,28H2,1H3
InChIKeySGSSGVBXHNUYRN-UHFFFAOYSA-N
XLogP6.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline?
The IUPAC name of 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline (CID 24760585) is 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline.
What is the SMILES notation for 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline?
The canonical SMILES for 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3cccc(N)c3)c2)n1.
What is the InChIKey of 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline?
The InChIKey is SGSSGVBXHNUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3/c1-15-11-19(16-5-7-20(8-6-16)24(25,26)27)14-23(30-15)18-9-10-29-22(13-18)17-3-2-4-21(28)12-17/h2-14H,28H2,1H3.
What are the key properties of 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline?
3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline has a molecular weight of 405.42 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]aniline is sourced from PubChem (CID 24760585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).