3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C24H18F4N2 — CID 24877871

IUPAC3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H18F4N2/c25-22-10-9-16(14-20(22)19-7-1-2-8-21(19)24(26,27)28)13-17-5-4-12-30-23(17)18-6-3-11-29-15-18/h1-3,6-11,13-15H,4-5,12H2/b17-13+
InChIKeyUJGNDRXLYWHJDC-GHRIWEEISA-N
MW410.41 g/mol
LogP6.57
Rot. Bonds3

About 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 24877871) has the molecular formula C24H18F4N2 and a molecular weight of 410.41 g/mol. Its IUPAC name is 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID24877871
Molecular FormulaC24H18F4N2
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H18F4N2/c25-22-10-9-16(14-20(22)19-7-1-2-8-21(19)24(26,27)28)13-17-5-4-12-30-23(17)18-6-3-11-29-15-18/h1-3,6-11,13-15H,4-5,12H2/b17-13+
InChIKeyUJGNDRXLYWHJDC-GHRIWEEISA-N
XLogP6.57
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 24877871) is 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is Fc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is UJGNDRXLYWHJDC-GHRIWEEISA-N. The full InChI is InChI=1S/C24H18F4N2/c25-22-10-9-16(14-20(22)19-7-1-2-8-21(19)24(26,27)28)13-17-5-4-12-30-23(17)18-6-3-11-29-15-18/h1-3,6-11,13-15H,4-5,12H2/b17-13+.
What are the key properties of 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 410.41 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 24877871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).