3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde

C19H13NO2 — CID 102296513

IUPAC3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cc(C=O)ccc2-c2ccccn2)cc1
InChIInChI=1S/C19H13NO2/c21-12-14-4-7-16(8-5-14)18-11-15(13-22)6-9-17(18)19-3-1-2-10-20-19/h1-13H
InChIKeyPBBIJSZXYVOYID-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.04
Rot. Bonds4

About 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde

3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde (PubChem CID 102296513) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde
PubChem CID102296513
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cc(C=O)ccc2-c2ccccn2)cc1
InChIInChI=1S/C19H13NO2/c21-12-14-4-7-16(8-5-14)18-11-15(13-22)6-9-17(18)19-3-1-2-10-20-19/h1-13H
InChIKeyPBBIJSZXYVOYID-UHFFFAOYSA-N
XLogP4.04
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Benzoylpyridine
CID 7038
4-Quinolinecarboxaldehyde
CID 78072
N'-[1-(2-pyridinyl)ethylidene]-1-naphthohydrazide
CID 9618012
8-Quinolinecarboxaldehyde
CID 170103
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Benzo(h)quinoline-5,6-dione
CID 163098
(e)-2-(Pyridin-2-ylmethylene)-2,3-dihydro-1h-inden-1-one
CID 6526506
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one
CID 18407230
1,5-Diphenyl-3-(pyridin-4-yl)pentane-1,5-dione
CID 219448
1-Phenyl-3-(pyridin-2-yl)propane-1,3-dione
CID 238448
(E)-3-naphthalen-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 8854335

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde?
The IUPAC name of 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde (CID 102296513) is 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde.
What is the SMILES notation for 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde?
The canonical SMILES for 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde is O=Cc1ccc(-c2cc(C=O)ccc2-c2ccccn2)cc1.
What is the InChIKey of 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde?
The InChIKey is PBBIJSZXYVOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c21-12-14-4-7-16(8-5-14)18-11-15(13-22)6-9-17(18)19-3-1-2-10-20-19/h1-13H.
What are the key properties of 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde?
3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde has a molecular weight of 287.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylphenyl)-4-pyridin-2-ylbenzaldehyde is sourced from PubChem (CID 102296513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).