2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine

C24H20ClF3N2 — CID 19863508

IUPAC2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine
SMILESFC(F)(F)c1cc(C2=CCNC(Cc3cc(-c4ccccc4)ccn3)C2)ccc1Cl
InChIInChI=1S/C24H20ClF3N2/c25-23-7-6-17(14-22(23)24(26,27)28)19-9-11-30-21(13-19)15-20-12-18(8-10-29-20)16-4-2-1-3-5-16/h1-10,12,14,21,30H,11,13,15H2
InChIKeyXCIAQWCGILESPQ-UHFFFAOYSA-N
MW428.89 g/mol
LogP6.41
Rot. Bonds4

About 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine

2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine (PubChem CID 19863508) has the molecular formula C24H20ClF3N2 and a molecular weight of 428.89 g/mol. Its IUPAC name is 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine.

Molecular Properties

Compound Name2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine
PubChem CID19863508
Molecular FormulaC24H20ClF3N2
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC Name2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine
SMILESFC(F)(F)c1cc(C2=CCNC(Cc3cc(-c4ccccc4)ccn3)C2)ccc1Cl
InChIInChI=1S/C24H20ClF3N2/c25-23-7-6-17(14-22(23)24(26,27)28)19-9-11-30-21(13-19)15-20-12-18(8-10-29-20)16-4-2-1-3-5-16/h1-10,12,14,21,30H,11,13,15H2
InChIKeyXCIAQWCGILESPQ-UHFFFAOYSA-N
XLogP6.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.89
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine?
The IUPAC name of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine (CID 19863508) is 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine.
What is the SMILES notation for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine?
The canonical SMILES for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine is FC(F)(F)c1cc(C2=CCNC(Cc3cc(-c4ccccc4)ccn3)C2)ccc1Cl.
What is the InChIKey of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine?
The InChIKey is XCIAQWCGILESPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2/c25-23-7-6-17(14-22(23)24(26,27)28)19-9-11-30-21(13-19)15-20-12-18(8-10-29-20)16-4-2-1-3-5-16/h1-10,12,14,21,30H,11,13,15H2.
What are the key properties of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine?
2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine has a molecular weight of 428.89 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridin-2-yl]methyl]-4-phenylpyridine is sourced from PubChem (CID 19863508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).