2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde

C18H19FN2O2 — CID 15086841

IUPAC2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde
SMILESCC(C)c1nc(N(C)C)c(C=O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H19FN2O2/c1-11(2)17-14(9-22)16(12-5-7-13(19)8-6-12)15(10-23)18(20-17)21(3)4/h5-11H,1-4H3
InChIKeyKWAJNYMYDJILJB-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.70
Rot. Bonds5

About 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde

2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde (PubChem CID 15086841) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde
PubChem CID15086841
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde
SMILESCC(C)c1nc(N(C)C)c(C=O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H19FN2O2/c1-11(2)17-14(9-22)16(12-5-7-13(19)8-6-12)15(10-23)18(20-17)21(3)4/h5-11H,1-4H3
InChIKeyKWAJNYMYDJILJB-UHFFFAOYSA-N
XLogP3.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
The IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde (CID 15086841) is 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
The canonical SMILES for 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde is CC(C)c1nc(N(C)C)c(C=O)c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
The InChIKey is KWAJNYMYDJILJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11(2)17-14(9-22)16(12-5-7-13(19)8-6-12)15(10-23)18(20-17)21(3)4/h5-11H,1-4H3.
What are the key properties of 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde has a molecular weight of 314.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde is sourced from PubChem (CID 15086841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).