2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde

C18H11BrFNO — CID 131955073

IUPAC2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)cc2)nc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C18H11BrFNO/c19-15-5-1-13(2-6-15)17-9-12(11-22)10-18(21-17)14-3-7-16(20)8-4-14/h1-11H
InChIKeyYODACZGRYZDQSY-UHFFFAOYSA-N
MW356.19 g/mol
LogP5.13
Rot. Bonds3

About 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde

2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde (PubChem CID 131955073) has the molecular formula C18H11BrFNO and a molecular weight of 356.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde
PubChem CID131955073
Molecular FormulaC18H11BrFNO
Molecular Weight356.19 g/mol
Exact Mass355.00
IUPAC Name2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)cc2)nc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C18H11BrFNO/c19-15-5-1-13(2-6-15)17-9-12(11-22)10-18(21-17)14-3-7-16(20)8-4-14/h1-11H
InChIKeyYODACZGRYZDQSY-UHFFFAOYSA-N
XLogP5.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.19
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde (CID 131955073) is 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde is O=Cc1cc(-c2ccc(F)cc2)nc(-c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde?
The InChIKey is YODACZGRYZDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFNO/c19-15-5-1-13(2-6-15)17-9-12(11-22)10-18(21-17)14-3-7-16(20)8-4-14/h1-11H.
What are the key properties of 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde?
2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde has a molecular weight of 356.19 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 131955073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).