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

C23H18F2N2 — CID 67339439

IUPAC3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFc1ccc(-c2cccc(C=C3CCCN=C3c3cccnc3)c2)c(F)c1
InChIInChI=1S/C23H18F2N2/c24-20-8-9-21(22(25)14-20)17-5-1-4-16(12-17)13-18-6-3-11-27-23(18)19-7-2-10-26-15-19/h1-2,4-5,7-10,12-15H,3,6,11H2
InChIKeyBXCNFMUPKHWYNZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.69
Rot. Bonds3

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

3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67339439) has the molecular formula C23H18F2N2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID67339439
Molecular FormulaC23H18F2N2
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFc1ccc(-c2cccc(C=C3CCCN=C3c3cccnc3)c2)c(F)c1
InChIInChI=1S/C23H18F2N2/c24-20-8-9-21(22(25)14-20)17-5-1-4-16(12-17)13-18-6-3-11-27-23(18)19-7-2-10-26-15-19/h1-2,4-5,7-10,12-15H,3,6,11H2
InChIKeyBXCNFMUPKHWYNZ-UHFFFAOYSA-N
XLogP5.69
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67339439) is 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is Fc1ccc(-c2cccc(C=C3CCCN=C3c3cccnc3)c2)c(F)c1.
What is the InChIKey of 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is BXCNFMUPKHWYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2/c24-20-8-9-21(22(25)14-20)17-5-1-4-16(12-17)13-18-6-3-11-27-23(18)19-7-2-10-26-15-19/h1-2,4-5,7-10,12-15H,3,6,11H2.
What are the key properties of 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 360.41 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67339439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).