2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine

C23H14ClF2N — CID 54056224

IUPAC2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cnc(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H14ClF2N/c24-19-3-1-2-17(12-19)23-22(16-6-10-21(26)11-7-16)13-18(14-27-23)15-4-8-20(25)9-5-15/h1-14H
InChIKeyPRSUMUSEJHHYQK-UHFFFAOYSA-N
MW377.82 g/mol
LogP7.01
Rot. Bonds3

About 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine

2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine (PubChem CID 54056224) has the molecular formula C23H14ClF2N and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine
PubChem CID54056224
Molecular FormulaC23H14ClF2N
Molecular Weight377.82 g/mol
Exact Mass377.08
IUPAC Name2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cnc(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H14ClF2N/c24-19-3-1-2-17(12-19)23-22(16-6-10-21(26)11-7-16)13-18(14-27-23)15-4-8-20(25)9-5-15/h1-14H
InChIKeyPRSUMUSEJHHYQK-UHFFFAOYSA-N
XLogP7.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.82
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine?
The IUPAC name of 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine (CID 54056224) is 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine is Fc1ccc(-c2cnc(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine?
The InChIKey is PRSUMUSEJHHYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF2N/c24-19-3-1-2-17(12-19)23-22(16-6-10-21(26)11-7-16)13-18(14-27-23)15-4-8-20(25)9-5-15/h1-14H.
What are the key properties of 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine?
2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine has a molecular weight of 377.82 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3,5-bis(4-fluorophenyl)pyridine is sourced from PubChem (CID 54056224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).