2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine

C20H18FN — CID 162708789

IUPAC2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(c1ccccc1)c1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN/c1-20(2,16-6-4-3-5-7-16)17-12-13-22-19(14-17)15-8-10-18(21)11-9-15/h3-14H,1-2H3
InChIKeyZNYGUBNHZNZYMX-UHFFFAOYSA-N
MW291.37 g/mol
LogP5.21
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine

2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine (PubChem CID 162708789) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine
PubChem CID162708789
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(c1ccccc1)c1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN/c1-20(2,16-6-4-3-5-7-16)17-12-13-22-19(14-17)15-8-10-18(21)11-9-15/h3-14H,1-2H3
InChIKeyZNYGUBNHZNZYMX-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine (CID 162708789) is 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine is CC(C)(c1ccccc1)c1ccnc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine?
The InChIKey is ZNYGUBNHZNZYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN/c1-20(2,16-6-4-3-5-7-16)17-12-13-22-19(14-17)15-8-10-18(21)11-9-15/h3-14H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine?
2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine has a molecular weight of 291.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine is sourced from PubChem (CID 162708789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).