3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde

C26H20FNO3 — CID 168890834

IUPAC3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c1
InChIInChI=1S/C26H20FNO3/c27-24-13-11-21(16-29)15-23(24)22-12-14-25(30-17-19-7-3-1-4-8-19)28-26(22)31-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyGPRGUCAJRHCFHU-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.86
Rot. Bonds8

About 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde (PubChem CID 168890834) has the molecular formula C26H20FNO3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde
PubChem CID168890834
Molecular FormulaC26H20FNO3
Molecular Weight413.45 g/mol
Exact Mass413.14
IUPAC Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c1
InChIInChI=1S/C26H20FNO3/c27-24-13-11-21(16-29)15-23(24)22-12-14-25(30-17-19-7-3-1-4-8-19)28-26(22)31-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyGPRGUCAJRHCFHU-UHFFFAOYSA-N
XLogP5.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.86
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

2-Methoxy-6-((2-methyl-[1,1'-biphenyl]-3-YL)methoxy)nicotinaldehyde
CID 117941962
3-(6-(3''-(Aminomethyl)biphenyl-3-yloxy)-3,5-difluoropyridin-2-yloxy)benzoic acid
CID 45485678
Ethyl 3-(6-ethoxy-3-pyridinyl)benzoate
CID 162643881
3-[4-[(6-Fluoro-2-pyridinyl)oxy]butyl]-2,3-dihydrochromen-4-one
CID 138963247
3-[6-[(6-Fluoro-2-pyridinyl)oxy]-3-[(6-fluoro-2-pyridinyl)oxymethyl]hexyl]-2,3-dihydrochromen-4-one
CID 138963248
Ethyl 6-[[4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoate
CID 18987144
Ethyl 6-[[4-(3-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoate
CID 18987147
Ethyl 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoate
CID 18987214
Ethyl 6-[[4-(2-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]hexanoate
CID 18987287
Ethyl 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoate
CID 18987316
Ethyl 6-[[4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoate
CID 18987329
Ethyl 6-[[6-(3-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoate
CID 18987337

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde?
The IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde (CID 168890834) is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde.
What is the SMILES notation for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde?
The canonical SMILES for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde is O=Cc1ccc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c1.
What is the InChIKey of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde?
The InChIKey is GPRGUCAJRHCFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO3/c27-24-13-11-21(16-29)15-23(24)22-12-14-25(30-17-19-7-3-1-4-8-19)28-26(22)31-18-20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde?
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde has a molecular weight of 413.45 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-fluorobenzaldehyde is sourced from PubChem (CID 168890834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).