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

C18H16F2N2O — CID 46702686

IUPAC3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H16F2N2O/c19-18(20)23-16-7-5-13(6-8-16)11-14-3-2-10-22-17(14)15-4-1-9-21-12-15/h1,4-9,11-12,18H,2-3,10H2/b14-11+
InChIKeyYHYVBVMTEIYNBP-SDNWHVSQSA-N
MW314.34 g/mol
LogP4.35
Rot. Bonds4

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

3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46702686) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46702686
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H16F2N2O/c19-18(20)23-16-7-5-13(6-8-16)11-14-3-2-10-22-17(14)15-4-1-9-21-12-15/h1,4-9,11-12,18H,2-3,10H2/b14-11+
InChIKeyYHYVBVMTEIYNBP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
Ro 24-0238
CID 6439060
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048

Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46702686) is 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is FC(F)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is YHYVBVMTEIYNBP-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H16F2N2O/c19-18(20)23-16-7-5-13(6-8-16)11-14-3-2-10-22-17(14)15-4-1-9-21-12-15/h1,4-9,11-12,18H,2-3,10H2/b14-11+.
What are the key properties of 3-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[[4-(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-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46702686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).