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

C23H19FN2 — CID 67338026

IUPAC3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFc1ccc(C=C2CCCN=C2c2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C23H19FN2/c24-22-11-10-17(15-21(22)18-6-2-1-3-7-18)14-19-8-5-13-26-23(19)20-9-4-12-25-16-20/h1-4,6-7,9-12,14-16H,5,8,13H2
InChIKeyMPXXHGVDMOLTIX-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.55
Rot. Bonds3

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

3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67338026) has the molecular formula C23H19FN2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID67338026
Molecular FormulaC23H19FN2
Molecular Weight342.42 g/mol
Exact Mass342.15
IUPAC Name3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFc1ccc(C=C2CCCN=C2c2cccnc2)cc1-c1ccccc1
InChIInChI=1S/C23H19FN2/c24-22-11-10-17(15-21(22)18-6-2-1-3-7-18)14-19-8-5-13-26-23(19)20-9-4-12-25-16-20/h1-4,6-7,9-12,14-16H,5,8,13H2
InChIKeyMPXXHGVDMOLTIX-UHFFFAOYSA-N
XLogP5.55
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67338026) is 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is Fc1ccc(C=C2CCCN=C2c2cccnc2)cc1-c1ccccc1.
What is the InChIKey of 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is MPXXHGVDMOLTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2/c24-22-11-10-17(15-21(22)18-6-2-1-3-7-18)14-19-8-5-13-26-23(19)20-9-4-12-25-16-20/h1-4,6-7,9-12,14-16H,5,8,13H2.
What are the key properties of 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 342.42 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67338026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).