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

C18H16F2N2O — CID 46702873

IUPAC3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1
InChIInChI=1S/C18H16F2N2O/c19-18(20)23-16-8-2-1-5-13(16)11-14-6-4-10-22-17(14)15-7-3-9-21-12-15/h1-3,5,7-9,11-12,18H,4,6,10H2/b14-11+
InChIKeyWURFEEZTNHBTJW-SDNWHVSQSA-N
MW314.34 g/mol
LogP4.35
Rot. Bonds4

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

3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46702873) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46702873
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1
InChIInChI=1S/C18H16F2N2O/c19-18(20)23-16-8-2-1-5-13(16)11-14-6-4-10-22-17(14)15-7-3-9-21-12-15/h1-3,5,7-9,11-12,18H,4,6,10H2/b14-11+
InChIKeyWURFEEZTNHBTJW-SDNWHVSQSA-N
XLogP4.35
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46702873) is 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is FC(F)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1.
What is the InChIKey of 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is WURFEEZTNHBTJW-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H16F2N2O/c19-18(20)23-16-8-2-1-5-13(16)11-14-6-4-10-22-17(14)15-7-3-9-21-12-15/h1-3,5,7-9,11-12,18H,4,6,10H2/b14-11+.
What are the key properties of 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 314.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46702873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).