3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine

C24H20FN3 — CID 66829446

IUPAC3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
SMILESCc1cc(F)ccc1-c1ncccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H20FN3/c1-17-13-21(25)8-9-22(17)24-18(5-4-12-28-24)14-23(19-6-2-10-26-15-19)20-7-3-11-27-16-20/h2-13,15-16,23H,14H2,1H3
InChIKeyRPVDNCXOWQMYPC-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.36
Rot. Bonds5

About 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine

3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine (PubChem CID 66829446) has the molecular formula C24H20FN3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
PubChem CID66829446
Molecular FormulaC24H20FN3
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
SMILESCc1cc(F)ccc1-c1ncccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H20FN3/c1-17-13-21(25)8-9-22(17)24-18(5-4-12-28-24)14-23(19-6-2-10-26-15-19)20-7-3-11-27-16-20/h2-13,15-16,23H,14H2,1H3
InChIKeyRPVDNCXOWQMYPC-UHFFFAOYSA-N
XLogP5.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
3-[2-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264973
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
CID 114347672
2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829358
N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide
CID 66829347
2-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylpropyl)pyridine;methanamine
CID 143520386
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
CID 16662853
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide
CID 66829565
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine (CID 66829446) is 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine is Cc1cc(F)ccc1-c1ncccc1CC(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine?
The InChIKey is RPVDNCXOWQMYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3/c1-17-13-21(25)8-9-22(17)24-18(5-4-12-28-24)14-23(19-6-2-10-26-15-19)20-7-3-11-27-16-20/h2-13,15-16,23H,14H2,1H3.
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine?
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine has a molecular weight of 369.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine is sourced from PubChem (CID 66829446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).