3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine

C23H18FN3 — CID 66829378

IUPAC3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cccnc2)c1
InChIInChI=1S/C23H18FN3/c24-20-7-8-21(23(13-20)19-6-3-11-27-16-19)22(18-5-2-10-26-15-18)12-17-4-1-9-25-14-17/h1-11,13-16,22H,12H2
InChIKeySSDUVHIRFREJBI-UHFFFAOYSA-N
MW355.42 g/mol
LogP5.05
Rot. Bonds5

About 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine

3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine (PubChem CID 66829378) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine
PubChem CID66829378
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cccnc2)c1
InChIInChI=1S/C23H18FN3/c24-20-7-8-21(23(13-20)19-6-3-11-27-16-19)22(18-5-2-10-26-15-18)12-17-4-1-9-25-14-17/h1-11,13-16,22H,12H2
InChIKeySSDUVHIRFREJBI-UHFFFAOYSA-N
XLogP5.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluoro-2-pyridin-4-ylphenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287333
3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287318
3-[2-(3-fluorophenyl)-2-phenylethyl]pyridine
CID 176898824
3-[2-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264973
3-[2-(2-fluorophenyl)-2-phenylethyl]pyridine
CID 176898821
1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
CID 105034708
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide
CID 66829347

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine?
The IUPAC name of 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine (CID 66829378) is 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine is Fc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cccnc2)c1.
What is the InChIKey of 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine?
The InChIKey is SSDUVHIRFREJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3/c24-20-7-8-21(23(13-20)19-6-3-11-27-16-19)22(18-5-2-10-26-15-18)12-17-4-1-9-25-14-17/h1-11,13-16,22H,12H2.
What are the key properties of 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine?
3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine has a molecular weight of 355.42 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 66829378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).