2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine

C20H17ClFN — CID 15135239

IUPAC2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)c(F)c3)nc2)cc1
InChIInChI=1S/C20H17ClFN/c1-2-3-14-4-6-15(7-5-14)17-9-11-20(23-13-17)16-8-10-18(21)19(22)12-16/h4-13H,2-3H2,1H3
InChIKeyKOEUNTQWJUBJFK-UHFFFAOYSA-N
MW325.81 g/mol
LogP6.16
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine

2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine (PubChem CID 15135239) has the molecular formula C20H17ClFN and a molecular weight of 325.81 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine
PubChem CID15135239
Molecular FormulaC20H17ClFN
Molecular Weight325.81 g/mol
Exact Mass325.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)c(F)c3)nc2)cc1
InChIInChI=1S/C20H17ClFN/c1-2-3-14-4-6-15(7-5-14)17-9-11-20(23-13-17)16-8-10-18(21)19(22)12-16/h4-13H,2-3H2,1H3
InChIKeyKOEUNTQWJUBJFK-UHFFFAOYSA-N
XLogP6.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.81
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine (CID 15135239) is 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine is CCCc1ccc(-c2ccc(-c3ccc(Cl)c(F)c3)nc2)cc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine?
The InChIKey is KOEUNTQWJUBJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN/c1-2-3-14-4-6-15(7-5-14)17-9-11-20(23-13-17)16-8-10-18(21)19(22)12-16/h4-13H,2-3H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine?
2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine has a molecular weight of 325.81 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-(4-propylphenyl)pyridine is sourced from PubChem (CID 15135239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).