5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine

C24H16BrF2N — CID 21333347

IUPAC5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine
SMILESFc1ccccc1-c1cccc(Cc2ccc(Br)nc2)c1-c1ccccc1F
InChIInChI=1S/C24H16BrF2N/c25-23-13-12-16(15-28-23)14-17-6-5-9-19(18-7-1-3-10-21(18)26)24(17)20-8-2-4-11-22(20)27/h1-13,15H,14H2
InChIKeyPQXMJLAJAKGRPL-UHFFFAOYSA-N
MW436.30 g/mol
LogP7.05
Rot. Bonds4

About 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine

5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine (PubChem CID 21333347) has the molecular formula C24H16BrF2N and a molecular weight of 436.30 g/mol. Its IUPAC name is 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine.

Molecular Properties

Compound Name5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine
PubChem CID21333347
Molecular FormulaC24H16BrF2N
Molecular Weight436.30 g/mol
Exact Mass435.04
IUPAC Name5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine
SMILESFc1ccccc1-c1cccc(Cc2ccc(Br)nc2)c1-c1ccccc1F
InChIInChI=1S/C24H16BrF2N/c25-23-13-12-16(15-28-23)14-17-6-5-9-19(18-7-1-3-10-21(18)26)24(17)20-8-2-4-11-22(20)27/h1-13,15H,14H2
InChIKeyPQXMJLAJAKGRPL-UHFFFAOYSA-N
XLogP7.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine?
The IUPAC name of 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine (CID 21333347) is 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine.
What is the SMILES notation for 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine?
The canonical SMILES for 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine is Fc1ccccc1-c1cccc(Cc2ccc(Br)nc2)c1-c1ccccc1F.
What is the InChIKey of 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine?
The InChIKey is PQXMJLAJAKGRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrF2N/c25-23-13-12-16(15-28-23)14-17-6-5-9-19(18-7-1-3-10-21(18)26)24(17)20-8-2-4-11-22(20)27/h1-13,15H,14H2.
What are the key properties of 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine?
5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine has a molecular weight of 436.30 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine is sourced from PubChem (CID 21333347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).