3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine

C23H18FN3 — CID 67011551

IUPAC3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H18FN3/c24-22-9-7-19(8-10-22)23(20-5-2-12-26-16-20,21-6-3-13-27-17-21)14-18-4-1-11-25-15-18/h1-13,15-17H,14H2
InChIKeyJWXGBLCKJKVXIS-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.59
Rot. Bonds5

About 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine

3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine (PubChem CID 67011551) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine
PubChem CID67011551
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H18FN3/c24-22-9-7-19(8-10-22)23(20-5-2-12-26-16-20,21-6-3-13-27-17-21)14-18-4-1-11-25-15-18/h1-13,15-17H,14H2
InChIKeyJWXGBLCKJKVXIS-UHFFFAOYSA-N
XLogP4.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-bis(4-fluorophenyl)-2-pyridin-3-ylethanol
CID 23036417
2-fluoro-5-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine
CID 91302011
1,1,2-tripyridin-3-ylethanol
CID 57425683
2-(3-fluorophenyl)-1-pyridin-3-ylbutan-2-amine
CID 114872773
1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol
CID 46854274
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
3-ethylpyridine
CID 10823
bis(pyridin-3-ylmethyl)azanium
CID 6946562
1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 114080751
3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 155040377

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine?
The IUPAC name of 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine (CID 67011551) is 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine is Fc1ccc(C(Cc2cccnc2)(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine?
The InChIKey is JWXGBLCKJKVXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3/c24-22-9-7-19(8-10-22)23(20-5-2-12-26-16-20,21-6-3-13-27-17-21)14-18-4-1-11-25-15-18/h1-13,15-17H,14H2.
What are the key properties of 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine?
3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine has a molecular weight of 355.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine is sourced from PubChem (CID 67011551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).