2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde

C28H20FN3O — CID 118917078

IUPAC2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)ccnc1F
InChIInChI=1S/C28H20FN3O/c29-27-25(19-33)24(16-17-30-27)26-18-32(20-31-26)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-20H
InChIKeyQVEOJECVHGKGSY-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.74
Rot. Bonds6

About 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde

2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde (PubChem CID 118917078) has the molecular formula C28H20FN3O and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde
PubChem CID118917078
Molecular FormulaC28H20FN3O
Molecular Weight433.49 g/mol
Exact Mass433.16
IUPAC Name2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)ccnc1F
InChIInChI=1S/C28H20FN3O/c29-27-25(19-33)24(16-17-30-27)26-18-32(20-31-26)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-20H
InChIKeyQVEOJECVHGKGSY-UHFFFAOYSA-N
XLogP5.74
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(1-tritylimidazol-4-yl)benzaldehyde
CID 118917134
3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
CID 121284429
3-(1-tritylimidazol-4-yl)pyridine
CID 90733826
4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine
CID 118917067
1-(7-chloro-6-fluoro-1-benzofuran-5-yl)-3-[2-(1-tritylimidazol-4-yl)phenyl]prop-2-en-1-one
CID 141498073
2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile
CID 90407660
(2E)-2-[[2-(1-tritylimidazol-4-yl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 137406243
2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
(E)-1-(4,4-dimethylcyclohexyl)-3-[2-fluoro-6-(1-tritylimidazol-4-yl)phenyl]prop-2-en-1-one
CID 118917088
(E)-3-[2-chloro-6-(1-tritylimidazol-4-yl)phenyl]-1-(oxan-4-yl)prop-2-en-1-one
CID 118941687
6-cyclopropyloxy-2-ethenyl-3-(1-tritylimidazol-4-yl)pyridine
CID 118941671
3-chloro-5-[[2-(1-tritylimidazol-4-yl)phenyl]methylidene]-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 137406126

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde (CID 118917078) is 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde is O=Cc1c(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)ccnc1F.
What is the InChIKey of 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde?
The InChIKey is QVEOJECVHGKGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3O/c29-27-25(19-33)24(16-17-30-27)26-18-32(20-31-26)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-20H.
What are the key properties of 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde?
2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde has a molecular weight of 433.49 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-tritylimidazol-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118917078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).