3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine

C25H21FN2 — CID 69287318

IUPAC3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(Cc2ccccc2)c1
InChIInChI=1S/C25H21FN2/c26-23-10-11-24(22(16-23)14-19-6-2-1-3-7-19)25(21-9-5-13-28-18-21)15-20-8-4-12-27-17-20/h1-13,16-18,25H,14-15H2
InChIKeyBGWMUPMPFUQYSB-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.58
Rot. Bonds6

About 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine

3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine (PubChem CID 69287318) has the molecular formula C25H21FN2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine
PubChem CID69287318
Molecular FormulaC25H21FN2
Molecular Weight368.46 g/mol
Exact Mass368.17
IUPAC Name3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(Cc2ccccc2)c1
InChIInChI=1S/C25H21FN2/c26-23-10-11-24(22(16-23)14-19-6-2-1-3-7-19)25(21-9-5-13-28-18-21)15-20-8-4-12-27-17-20/h1-13,16-18,25H,14-15H2
InChIKeyBGWMUPMPFUQYSB-UHFFFAOYSA-N
XLogP5.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine
CID 66829378
3-[1-(4-fluoro-2-pyridin-4-ylphenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287333
3-[2-(3-fluorophenyl)-2-phenylethyl]pyridine
CID 176898824
3-[2-(2-fluorophenyl)-2-phenylethyl]pyridine
CID 176898821
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
CID 105034708
3-[2-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264973
2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824754
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine?
The IUPAC name of 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine (CID 69287318) is 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine is Fc1ccc(C(Cc2cccnc2)c2cccnc2)c(Cc2ccccc2)c1.
What is the InChIKey of 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine?
The InChIKey is BGWMUPMPFUQYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2/c26-23-10-11-24(22(16-23)14-19-6-2-1-3-7-19)25(21-9-5-13-28-18-21)15-20-8-4-12-27-17-20/h1-13,16-18,25H,14-15H2.
What are the key properties of 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine?
3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine has a molecular weight of 368.46 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 69287318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).