4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde

C18H12BrNO — CID 19867344

IUPAC4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C18H12BrNO/c19-17-8-5-15(6-9-17)18-10-7-16(11-20-18)14-3-1-13(12-21)2-4-14/h1-12H
InChIKeySMTNEZQEFZWMBS-UHFFFAOYSA-N
MW338.20 g/mol
LogP4.99
Rot. Bonds3

About 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde

4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde (PubChem CID 19867344) has the molecular formula C18H12BrNO and a molecular weight of 338.20 g/mol. Its IUPAC name is 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde
PubChem CID19867344
Molecular FormulaC18H12BrNO
Molecular Weight338.20 g/mol
Exact Mass337.01
IUPAC Name4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C18H12BrNO/c19-17-8-5-15(6-9-17)18-10-7-16(11-20-18)14-3-1-13(12-21)2-4-14/h1-12H
InChIKeySMTNEZQEFZWMBS-UHFFFAOYSA-N
XLogP4.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.99
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 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde?
The IUPAC name of 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde (CID 19867344) is 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(Br)cc3)nc2)cc1.
What is the InChIKey of 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde?
The InChIKey is SMTNEZQEFZWMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO/c19-17-8-5-15(6-9-17)18-10-7-16(11-20-18)14-3-1-13(12-21)2-4-14/h1-12H.
What are the key properties of 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde?
4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde has a molecular weight of 338.20 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-bromophenyl)-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 19867344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).