4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine

C21H16FN — CID 25033735

IUPAC4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1
InChIInChI=1S/C21H16FN/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16/h3-14H,1-2H2
InChIKeyPHOBLPLUIYOPJE-UHFFFAOYSA-N
MW301.36 g/mol
LogP5.27
Rot. Bonds2

About 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine

4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine (PubChem CID 25033735) has the molecular formula C21H16FN and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
PubChem CID25033735
Molecular FormulaC21H16FN
Molecular Weight301.36 g/mol
Exact Mass301.13
IUPAC Name4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1
InChIInChI=1S/C21H16FN/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16/h3-14H,1-2H2
InChIKeyPHOBLPLUIYOPJE-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine?
The IUPAC name of 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine (CID 25033735) is 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine?
The canonical SMILES for 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine is Fc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine?
The InChIKey is PHOBLPLUIYOPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16/h3-14H,1-2H2.
What are the key properties of 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine?
4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine has a molecular weight of 301.36 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine is sourced from PubChem (CID 25033735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).