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

C24H21FN2O — CID 67337325

IUPAC3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1cccc(-c2ccc(/C=C3/CCCN=C3c3cccnc3)c(F)c2)c1
InChIInChI=1S/C24H21FN2O/c1-28-22-8-2-5-17(14-22)18-9-10-19(23(25)15-18)13-20-6-4-12-27-24(20)21-7-3-11-26-16-21/h2-3,5,7-11,13-16H,4,6,12H2,1H3/b20-13-
InChIKeyFYFKQMFDMJOPFF-MOSHPQCFSA-N
MW372.44 g/mol
LogP5.56
Rot. Bonds4

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

3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67337325) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID67337325
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1cccc(-c2ccc(/C=C3/CCCN=C3c3cccnc3)c(F)c2)c1
InChIInChI=1S/C24H21FN2O/c1-28-22-8-2-5-17(14-22)18-9-10-19(23(25)15-18)13-20-6-4-12-27-24(20)21-7-3-11-26-16-21/h2-3,5,7-11,13-16H,4,6,12H2,1H3/b20-13-
InChIKeyFYFKQMFDMJOPFF-MOSHPQCFSA-N
XLogP5.56
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;hydron;dichloride
CID 66618703
3-[(5E)-5-[(2-methoxy-4-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24876940
3-[(5E)-5-[[2-methoxy-4-(3-methylphenoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 24877190
3-[5-[[2-(3-fluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67337262
3-[(5E)-5-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 11550686
3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24877523
3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67338026
3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67339439
3-(1-hydroxyethyl)-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
CID 136503244
3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 161148903
3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67338244
3,4,5-trihydroxy-6-[3-methoxy-4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenoxy]oxane-2-carboxylic acid
CID 76577482

Frequently Asked Questions

What is the IUPAC name of 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67337325) is 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is COc1cccc(-c2ccc(/C=C3/CCCN=C3c3cccnc3)c(F)c2)c1.
What is the InChIKey of 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is FYFKQMFDMJOPFF-MOSHPQCFSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-28-22-8-2-5-17(14-22)18-9-10-19(23(25)15-18)13-20-6-4-12-27-24(20)21-7-3-11-26-16-21/h2-3,5,7-11,13-16H,4,6,12H2,1H3/b20-13-.
What are the key properties of 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 372.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67337325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).