2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine

C22H20FN — CID 144512497

IUPAC2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine
SMILESCC1CC1(C)c1ccccc1-c1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C22H20FN/c1-15-13-22(15,2)20-6-4-3-5-19(20)21-12-9-17(14-24-21)16-7-10-18(23)11-8-16/h3-12,14-15H,13H2,1-2H3
InChIKeyFDUFAMGFWXKIKW-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.85
Rot. Bonds3

About 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine

2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine (PubChem CID 144512497) has the molecular formula C22H20FN and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine
PubChem CID144512497
Molecular FormulaC22H20FN
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine
SMILESCC1CC1(C)c1ccccc1-c1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C22H20FN/c1-15-13-22(15,2)20-6-4-3-5-19(20)21-12-9-17(14-24-21)16-7-10-18(23)11-8-16/h3-12,14-15H,13H2,1-2H3
InChIKeyFDUFAMGFWXKIKW-UHFFFAOYSA-N
XLogP5.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine?
The IUPAC name of 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine (CID 144512497) is 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine is CC1CC1(C)c1ccccc1-c1ccc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine?
The InChIKey is FDUFAMGFWXKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN/c1-15-13-22(15,2)20-6-4-3-5-19(20)21-12-9-17(14-24-21)16-7-10-18(23)11-8-16/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine?
2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine has a molecular weight of 317.41 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dimethylcyclopropyl)phenyl]-5-(4-fluorophenyl)pyridine is sourced from PubChem (CID 144512497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).