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

C18H15F3N2O — CID 46702380

IUPAC3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)24-16-7-5-13(6-8-16)11-14-3-2-10-23-17(14)15-4-1-9-22-12-15/h1,4-9,11-12H,2-3,10H2/b14-11+
InChIKeyKENIMVNHLINACQ-SDNWHVSQSA-N
MW332.33 g/mol
LogP4.65
Rot. Bonds3

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

3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46702380) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46702380
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)24-16-7-5-13(6-8-16)11-14-3-2-10-23-17(14)15-4-1-9-22-12-15/h1,4-9,11-12H,2-3,10H2/b14-11+
InChIKeyKENIMVNHLINACQ-SDNWHVSQSA-N
XLogP4.65
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46702380) is 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is FC(F)(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is KENIMVNHLINACQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)24-16-7-5-13(6-8-16)11-14-3-2-10-23-17(14)15-4-1-9-22-12-15/h1,4-9,11-12H,2-3,10H2/b14-11+.
What are the key properties of 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 332.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[[4-(trifluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46702380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).