4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde

C26H19BrINO3 — CID 175344127

IUPAC4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(I)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1cccnc1
InChIInChI=1S/C26H19BrINO3/c27-26-20(9-4-10-22(26)19-7-2-1-3-8-19)17-32-25-13-24(21(15-30)12-23(25)28)31-16-18-6-5-11-29-14-18/h1-15H,16-17H2
InChIKeyYWSMUCCSOKJPJD-UHFFFAOYSA-N
MW600.25 g/mol
LogP7.09
Rot. Bonds8

About 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde

4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde (PubChem CID 175344127) has the molecular formula C26H19BrINO3 and a molecular weight of 600.25 g/mol. Its IUPAC name is 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde
PubChem CID175344127
Molecular FormulaC26H19BrINO3
Molecular Weight600.25 g/mol
Exact Mass598.96
IUPAC Name4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(I)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1cccnc1
InChIInChI=1S/C26H19BrINO3/c27-26-20(9-4-10-22(26)19-7-2-1-3-8-19)17-32-25-13-24(21(15-30)12-23(25)28)31-16-18-6-5-11-29-14-18/h1-15H,16-17H2
InChIKeyYWSMUCCSOKJPJD-UHFFFAOYSA-N
XLogP7.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.25
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-[(2-bromo-3-phenylphenyl)methoxy]-4-chloro-2-formylphenoxy]methyl]benzonitrile
CID 138488047
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 155375186
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
2-[(E)-2-[2-chloro-4-formyl-5-(pyridin-3-ylmethoxy)phenyl]ethenyl]-4-phenylpyridine-3-carbonitrile
CID 155670838
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
3-[[5-formyl-2-[2-(2-methyl-3-phenylphenyl)acetyl]-4-pyridinyl]oxymethyl]benzonitrile
CID 161048194
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
CID 13115153
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
CID 85472987

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde?
The IUPAC name of 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde (CID 175344127) is 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde is O=Cc1cc(I)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1cccnc1.
What is the InChIKey of 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde?
The InChIKey is YWSMUCCSOKJPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrINO3/c27-26-20(9-4-10-22(26)19-7-2-1-3-8-19)17-32-25-13-24(21(15-30)12-23(25)28)31-16-18-6-5-11-29-14-18/h1-15H,16-17H2.
What are the key properties of 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde?
4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde has a molecular weight of 600.25 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-phenylphenyl)methoxy]-5-iodo-2-(pyridin-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 175344127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).