3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C24H20F4N2O — CID 67546534

IUPAC3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)(F)OC1(F)CC(c2ccccc2)=CC=C1C=C1CCCN=C1c1cccnc1
InChIInChI=1S/C24H20F4N2O/c25-23(31-24(26,27)28)15-19(17-6-2-1-3-7-17)10-11-21(23)14-18-8-5-13-30-22(18)20-9-4-12-29-16-20/h1-4,6-7,9-12,14,16H,5,8,13,15H2
InChIKeyYGEGUVYOZUFKRB-UHFFFAOYSA-N
MW428.43 g/mol
LogP6.21
Rot. Bonds4

About 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67546534) has the molecular formula C24H20F4N2O and a molecular weight of 428.43 g/mol. Its IUPAC name is 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID67546534
Molecular FormulaC24H20F4N2O
Molecular Weight428.43 g/mol
Exact Mass428.15
IUPAC Name3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)(F)OC1(F)CC(c2ccccc2)=CC=C1C=C1CCCN=C1c1cccnc1
InChIInChI=1S/C24H20F4N2O/c25-23(31-24(26,27)28)15-19(17-6-2-1-3-7-17)10-11-21(23)14-18-8-5-13-30-22(18)20-9-4-12-29-16-20/h1-4,6-7,9-12,14,16H,5,8,13,15H2
InChIKeyYGEGUVYOZUFKRB-UHFFFAOYSA-N
XLogP6.21
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine with MolForge

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Related Compounds

3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 161148903
3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67338026
3-[5-[[2-(3-fluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67337262
3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67338244
3-[(5E)-5-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 11550686
3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole
CID 10067052
1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea
CID 67337458
3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24877871
3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67337318
2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone
CID 88961397
3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-2H-indazole
CID 58911192
3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 10339542

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67546534) is 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is FC(F)(F)OC1(F)CC(c2ccccc2)=CC=C1C=C1CCCN=C1c1cccnc1.
What is the InChIKey of 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is YGEGUVYOZUFKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O/c25-23(31-24(26,27)28)15-19(17-6-2-1-3-7-17)10-11-21(23)14-18-8-5-13-30-22(18)20-9-4-12-29-16-20/h1-4,6-7,9-12,14,16H,5,8,13,15H2.
What are the key properties of 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 428.43 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[6-fluoro-4-phenyl-6-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67546534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).