1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde

C20H16BrNO4 — CID 86680277

IUPAC1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
SMILESCOc1ccc(COc2cn(-c3cccc(Br)c3)c(C=O)cc2=O)cc1
InChIInChI=1S/C20H16BrNO4/c1-25-18-7-5-14(6-8-18)13-26-20-11-22(17(12-23)10-19(20)24)16-4-2-3-15(21)9-16/h2-12H,13H2,1H3
InChIKeyUQVZLBNRSUEUOW-UHFFFAOYSA-N
MW414.26 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde

1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde (PubChem CID 86680277) has the molecular formula C20H16BrNO4 and a molecular weight of 414.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
PubChem CID86680277
Molecular FormulaC20H16BrNO4
Molecular Weight414.26 g/mol
Exact Mass413.03
IUPAC Name1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
SMILESCOc1ccc(COc2cn(-c3cccc(Br)c3)c(C=O)cc2=O)cc1
InChIInChI=1S/C20H16BrNO4/c1-25-18-7-5-14(6-8-18)13-26-20-11-22(17(12-23)10-19(20)24)16-4-2-3-15(21)9-16/h2-12H,13H2,1H3
InChIKeyUQVZLBNRSUEUOW-UHFFFAOYSA-N
XLogP4.00
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]pyridin-4-one
CID 139662460
1-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]pyridin-4-one
CID 154265521
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
1,5-bis[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carboxylic acid
CID 70812490
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
CID 154462432
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167309589
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
The IUPAC name of 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde (CID 86680277) is 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde.
What is the SMILES notation for 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
The canonical SMILES for 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde is COc1ccc(COc2cn(-c3cccc(Br)c3)c(C=O)cc2=O)cc1.
What is the InChIKey of 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
The InChIKey is UQVZLBNRSUEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO4/c1-25-18-7-5-14(6-8-18)13-26-20-11-22(17(12-23)10-19(20)24)16-4-2-3-15(21)9-16/h2-12H,13H2,1H3.
What are the key properties of 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde has a molecular weight of 414.26 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde is sourced from PubChem (CID 86680277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).