4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde

C26H19F2NO3 — CID 168874495

IUPAC4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c(F)c1
InChIInChI=1S/C26H19F2NO3/c27-22-13-20(15-30)14-23(28)25(22)21-11-12-24(31-16-18-7-3-1-4-8-18)29-26(21)32-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyVCBHFMWJQSXFRP-UHFFFAOYSA-N
MW431.44 g/mol
LogP6.00
Rot. Bonds8

About 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde

4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde (PubChem CID 168874495) has the molecular formula C26H19F2NO3 and a molecular weight of 431.44 g/mol. Its IUPAC name is 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde
PubChem CID168874495
Molecular FormulaC26H19F2NO3
Molecular Weight431.44 g/mol
Exact Mass431.13
IUPAC Name4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c(F)c1
InChIInChI=1S/C26H19F2NO3/c27-22-13-20(15-30)14-23(28)25(22)21-11-12-24(31-16-18-7-3-1-4-8-18)29-26(21)32-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyVCBHFMWJQSXFRP-UHFFFAOYSA-N
XLogP6.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 56.00
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-[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
1-[4-[3-Fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone
CID 57326341
Ethyl 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoate
CID 10095626
Ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate
CID 18987322
2-Fluoro-6-octoxy-3-[4-(4-octylphenyl)phenyl]pyridine
CID 19046958
2-Fluoro-6-hexoxy-3-[4-(4-octylphenyl)phenyl]pyridine
CID 19046960
(2,6-Difluoro-3-pyridinyl) 4-(4-butylcyclohexyl)benzoate
CID 19765607
(2,6-Difluoro-3-pyridinyl) 4-(4-pentylcyclohexyl)benzoate
CID 19765686
(2,6-Difluoro-3-pyridinyl) 4-(4-propylcyclohexyl)benzoate
CID 19765749
(2,6-Difluoro-3-pyridinyl) 4-(4-ethylcyclohexyl)benzoate
CID 19765783

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde?
The IUPAC name of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde (CID 168874495) is 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde is O=Cc1cc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c(F)c1.
What is the InChIKey of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde?
The InChIKey is VCBHFMWJQSXFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2NO3/c27-22-13-20(15-30)14-23(28)25(22)21-11-12-24(31-16-18-7-3-1-4-8-18)29-26(21)32-17-19-9-5-2-6-10-19/h1-15H,16-17H2.
What are the key properties of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde?
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde has a molecular weight of 431.44 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluorobenzaldehyde is sourced from PubChem (CID 168874495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).