2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde

C15H11F2NO3 — CID 135290673

IUPAC2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde
SMILESO=Cc1c(F)cc(-c2cc(OC3COC3)ccn2)cc1F
InChIInChI=1S/C15H11F2NO3/c16-13-3-9(4-14(17)12(13)6-19)15-5-10(1-2-18-15)21-11-7-20-8-11/h1-6,11H,7-8H2
InChIKeyGVLXODGVQCHGFU-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.62
Rot. Bonds4

About 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde

2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde (PubChem CID 135290673) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde
PubChem CID135290673
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde
SMILESO=Cc1c(F)cc(-c2cc(OC3COC3)ccn2)cc1F
InChIInChI=1S/C15H11F2NO3/c16-13-3-9(4-14(17)12(13)6-19)15-5-10(1-2-18-15)21-11-7-20-8-11/h1-6,11H,7-8H2
InChIKeyGVLXODGVQCHGFU-UHFFFAOYSA-N
XLogP2.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Pyridin-2-ylmethoxy)benzaldehyde
CID 759667
2-(Pyridin-2-ylmethoxy)benzaldehyde
CID 771116
Ketone, p-ethoxyphenyl 2-pyridyl
CID 208758
Benzaldehyde, 4-[2-(5-ethyl-2-pyridinyl)ethoxy]-
CID 9881522
3-[3,5-Bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal
CID 163321756
2-Fluorophenyl 4-(5-pentylpyridin-2-yl)benzoate
CID 4539089
5-(4-(Trifluoromethoxy)phenyl)picolinaldehyde
CID 21936234
(2-Fluorophenyl) 4-(5-propyl-2-pyridinyl)benzoate
CID 3276152
(5-Methyl-2-pyridin-2-ylphenyl) 4-fluorobenzoate
CID 57521413
(2-Pyridin-2-ylphenyl) 4-fluorobenzoate
CID 86072265
(2-Pyridin-2-ylphenyl) 4-(trifluoromethyl)benzoate
CID 86072277
(5-Fluoro-2-pyridin-2-ylphenyl) benzoate
CID 101580753

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde?
The IUPAC name of 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde (CID 135290673) is 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde?
The canonical SMILES for 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde is O=Cc1c(F)cc(-c2cc(OC3COC3)ccn2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde?
The InChIKey is GVLXODGVQCHGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-13-3-9(4-14(17)12(13)6-19)15-5-10(1-2-18-15)21-11-7-20-8-11/h1-6,11H,7-8H2.
What are the key properties of 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde?
2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde has a molecular weight of 291.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 135290673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).