CAS 55279-29-3|3-aminopyridine-4-carbaldehyde|3-Amino-pyridine-4-carbaldehyde|3-aminopyridine-4-carbaldehyde|3-Aminoisonicotinaldehyde 97%|3-Amino-4-formylpyridine|3-Aminopyridine-4-carboxaldehyde|3...

General Information

Structure

Molecular Formula

C₆H₆N₂O

Molecular Mass

122.12464

Exact Mass

122.04801282

Charge

InChI

InChI=1S/C6H6N2O/c7-6-3-8-2-1-5(6)4-9/h1-4H,7H2

InChIKey

NDEGFXFYOKVWAK-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccncc1N

Isomeric Smiles

c1(cnccc1C=O)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.2849341

LogD (pH = 7.4)

0.2890964

Log P

0.2891498

Molar Refractivity

35.1855

Polarizability

12.475106

Polar Surface Area

55.98

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3-aminopyridine-4-carbaldehyde

Synonyms

3-Amino-pyridine-4-carbaldehyde3-Aminoisonicotinaldehyde 97%3-Amino-4-formylpyridine3-Aminopyridine-4-carboxaldehyde3-Amino-pyridine-4-carbaldehyde3-Aminoisonicotinaldehyde3-Amino-4-pyridinecarboxaldehyde3-Aminoisonicotinaldehyde3-Aminopyridine-4-carboxaldehyde3-氨基吡啶-4-羧醛3-Aminopyridine-4-carboxaldehyde

IUPAC name

3-aminopyridine-4-carbaldehyde

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

Registration numbers

Properties

Physical Property

Melting Point

ca 92°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE000254

Other Notes
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Legal Information
Product of Adesis

TRC

A628965

Used in the preparation of hydroxyquinolin-2(1H)-ones and derivatives thereof for treating cognitive-related disorders and neuropathic pain disorders.

Molecule Details

References

PubChem Literature

From Data Sources

• Kawazoe, T., et al.: Chem. Rec., 7, 305 (1997)

• Vanoni, M., et al.: Biochemistry, 36, 5624 (1997)

• Ferraris, D., et al.: J. Med. Chem., 51, 3357 (1997)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

3-aminopyridine-4-carbaldehyde

Synonyms

IUPAC name

3-aminopyridine-4-carbaldehyde

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

Properties

Physical Property

Melting Point

ca 92°C

Molecule Details

Sigma Aldrich

ADE000254

TRC

A628965

Used in the preparation of hydroxyquinolin-2(1H)-ones and derivatives thereof for treating cognitive-related disorders and neuropathic pain disorders.

References

PubChem Literature

From Data Sources

• Kawazoe, T., et al.: Chem. Rec., 7, 305 (1997)

• Vanoni, M., et al.: Biochemistry, 36, 5624 (1997)

• Ferraris, D., et al.: J. Med. Chem., 51, 3357 (1997)

Bioactivity

PubChem BioAssay

Molecule

ID:23701