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

C24H20ClF3N2 — CID 57123957

IUPAC2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine
SMILESFC(F)(F)c1cc(C2=CCN(Cc3cc(-c4ccccc4)ccn3)CC2)ccc1Cl
InChIInChI=1S/C24H20ClF3N2/c25-23-7-6-19(15-22(23)24(26,27)28)18-9-12-30(13-10-18)16-21-14-20(8-11-29-21)17-4-2-1-3-5-17/h1-9,11,14-15H,10,12-13,16H2
InChIKeySFOMXZIZHARYON-UHFFFAOYSA-N
MW428.89 g/mol
LogP6.71
Rot. Bonds4

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

2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine (PubChem CID 57123957) 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]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine.

Molecular Properties

Compound Name2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine
PubChem CID57123957
Molecular FormulaC24H20ClF3N2
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC Name2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine
SMILESFC(F)(F)c1cc(C2=CCN(Cc3cc(-c4ccccc4)ccn3)CC2)ccc1Cl
InChIInChI=1S/C24H20ClF3N2/c25-23-7-6-19(15-22(23)24(26,27)28)18-9-12-30(13-10-18)16-21-14-20(8-11-29-21)17-4-2-1-3-5-17/h1-9,11,14-15H,10,12-13,16H2
InChIKeySFOMXZIZHARYON-UHFFFAOYSA-N
XLogP6.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.89
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine?
The IUPAC name of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine (CID 57123957) is 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine.
What is the SMILES notation for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine?
The canonical SMILES for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine is FC(F)(F)c1cc(C2=CCN(Cc3cc(-c4ccccc4)ccn3)CC2)ccc1Cl.
What is the InChIKey of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine?
The InChIKey is SFOMXZIZHARYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2/c25-23-7-6-19(15-22(23)24(26,27)28)18-9-12-30(13-10-18)16-21-14-20(8-11-29-21)17-4-2-1-3-5-17/h1-9,11,14-15H,10,12-13,16H2.
What are the key properties of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine?
2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine has a molecular weight of 428.89 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-phenylpyridine is sourced from PubChem (CID 57123957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).