CAS 191418-78-7|2-bromo-3-methoxypyridine-4-carbaldehyde|2-bromo-3-methoxypyridine-4-carbaldehyde|2-Bromo-3-methoxyisonicotinaldehyde|2-Bromo-3-methoxyisonicotinaldehyde

General Information

Structure

Molecular Formula

C₇H₆BrNO₂

Molecular Mass

216.03204

Exact Mass

214.95819044

Charge

InChI

InChI=1S/C7H6BrNO2/c1-11-6-5(4-10)2-3-9-7(6)8/h2-4H,1H3

InChIKey

NESGFHKARGFUQK-UHFFFAOYSA-N

Canonic Smiles

COc1c(C=O)ccnc1Br

Isomeric Smiles

c1cnc(c(c1C=O)OC)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2846786

LogD (pH = 7.4)

1.284679

Log P

1.284679

Molar Refractivity

45.4133

Polarizability

16.882393

Polar Surface Area

39.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-bromo-3-methoxypyridine-4-carbaldehyde

IUPAC name

2-bromo-3-methoxypyridine-4-carbaldehyde

Synonyms

2-Bromo-3-methoxyisonicotinaldehyde2-Bromo-3-methoxyisonicotinaldehyde

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE000176

Other Notes
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Product of Adesis

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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Calculated Properties