5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine

C24H28FN — CID 143653955

IUPAC5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine
SMILESCC1CC(/C=C/c2ccc(-c3cccc(F)c3)cn2)C2CCCCC2C1
InChIInChI=1S/C24H28FN/c1-17-13-19-5-2-3-8-24(19)20(14-17)9-11-23-12-10-21(16-26-23)18-6-4-7-22(25)15-18/h4,6-7,9-12,15-17,19-20,24H,2-3,5,8,13-14H2,1H3/b11-9+
InChIKeyKJLLSWRVZIHZJN-PKNBQFBNSA-N
MW349.49 g/mol
LogP6.75
Rot. Bonds3

About 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine

5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine (PubChem CID 143653955) has the molecular formula C24H28FN and a molecular weight of 349.49 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine
PubChem CID143653955
Molecular FormulaC24H28FN
Molecular Weight349.49 g/mol
Exact Mass349.22
IUPAC Name5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine
SMILESCC1CC(/C=C/c2ccc(-c3cccc(F)c3)cn2)C2CCCCC2C1
InChIInChI=1S/C24H28FN/c1-17-13-19-5-2-3-8-24(19)20(14-17)9-11-23-12-10-21(16-26-23)18-6-4-7-22(25)15-18/h4,6-7,9-12,15-17,19-20,24H,2-3,5,8,13-14H2,1H3/b11-9+
InChIKeyKJLLSWRVZIHZJN-PKNBQFBNSA-N
XLogP6.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.49
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine?
The IUPAC name of 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine (CID 143653955) is 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine?
The canonical SMILES for 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine is CC1CC(/C=C/c2ccc(-c3cccc(F)c3)cn2)C2CCCCC2C1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine?
The InChIKey is KJLLSWRVZIHZJN-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H28FN/c1-17-13-19-5-2-3-8-24(19)20(14-17)9-11-23-12-10-21(16-26-23)18-6-4-7-22(25)15-18/h4,6-7,9-12,15-17,19-20,24H,2-3,5,8,13-14H2,1H3/b11-9+.
What are the key properties of 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine?
5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine has a molecular weight of 349.49 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine is sourced from PubChem (CID 143653955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).