2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde

C18H11F2NO — CID 131870663

IUPAC2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(-c2cccc(F)c2)cnc1-c1cccc(F)c1
InChIInChI=1S/C18H11F2NO/c19-16-5-1-3-12(8-16)14-7-15(11-22)18(21-10-14)13-4-2-6-17(20)9-13/h1-11H
InChIKeyDBFQSCCISSVPLX-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.51
Rot. Bonds3

About 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde

2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde (PubChem CID 131870663) has the molecular formula C18H11F2NO and a molecular weight of 295.29 g/mol. Its IUPAC name is 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
PubChem CID131870663
Molecular FormulaC18H11F2NO
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(-c2cccc(F)c2)cnc1-c1cccc(F)c1
InChIInChI=1S/C18H11F2NO/c19-16-5-1-3-12(8-16)14-7-15(11-22)18(21-10-14)13-4-2-6-17(20)9-13/h1-11H
InChIKeyDBFQSCCISSVPLX-UHFFFAOYSA-N
XLogP4.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-phenylpyridine-3-carbaldehyde
CID 74892044
2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde
CID 142366319
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
CID 79072758
5-(3-fluorophenyl)-2H-triazole-4-carbaldehyde
CID 82377894
2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
CID 115028666
5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 75359372
5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;2,2,2-trifluoro-N-methylethanamine
CID 142811564
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde (CID 131870663) is 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde is O=Cc1cc(-c2cccc(F)c2)cnc1-c1cccc(F)c1.
What is the InChIKey of 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is DBFQSCCISSVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO/c19-16-5-1-3-12(8-16)14-7-15(11-22)18(21-10-14)13-4-2-6-17(20)9-13/h1-11H.
What are the key properties of 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde?
2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 295.29 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 131870663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).