CAS 22889-78-7|3,5-dichloropyridin-4-amine|3,5-dichloropyridin-4-amine|3,5-dichloropyridin-4-amine|4-Amino-3,5-dichloropyridine|3,5-Dichloropyridin-4-amine|3,5-Dichloropyridin-4-ylamine|3,5-Dichloro...

General Information

Structure

Molecular Formula

C₅H₄Cl₂N₂

Molecular Mass

163.00466

Exact Mass

161.9751535

Charge

InChI

InChI=1S/C5H4Cl2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)

InChIKey

ISIQAMHROGZHOV-UHFFFAOYSA-N

Canonic Smiles

Clc1cncc(c1N)Cl

Isomeric Smiles

c1c(c(c(cn1)Cl)N)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.8694503

LogD (pH = 7.4)

1.1296744

Log P

1.1347368

Molar Refractivity

38.2111

Polarizability

14.435774

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3,5-dichloropyridin-4-amine4-Amino-3,5-dichloropyridine3,5-Dichloropyridin-4-amine3,5-Dichloropyridin-4-ylamine3,5-Dichloro-4-aminopyridine3,5-Dichloro-4-pyridinamine4-Amino-3,5-dichloropyridine4-氨基-3,5-二氯吡啶

IUPAC name

3,5-dichloropyridin-4-amine

IUPAC Traditional name

3,5-dichloropyridin-4-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Beilstein Number

EC Number

Registration numbers

Properties

Physical Property

Melting Point

159-161°C

159-163°C

Product Information

Purity

98%

97%

98+%

Certificate of Analysis

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

TRC

A604705

4-Amino-3,5-dichloropyridine is a metabolite of the selective phosphodiesterase 4 (PDE4) inhibitor, Roflumilast (R639700).

Molecule Details

References

PubChem Literature

From Data Sources

• Cassidy, K.C. et al.: J. Pharmac. Biomed. Anal., 22, 869 (2002)

• Jeffrey, A.D. et al.: Drug Chem. Toxicol., 25, 93 (2002)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

3,5-dichloropyridin-4-amine

IUPAC Traditional name

3,5-dichloropyridin-4-amine

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Beilstein Number

EC Number

Properties

Physical Property

Melting Point

159-161°C

159-163°C

Product Information

Purity

98%

97%

98+%

Certificate of Analysis

Download link

Molecule Details

TRC

A604705

4-Amino-3,5-dichloropyridine is a metabolite of the selective phosphodiesterase 4 (PDE4) inhibitor, Roflumilast (R639700).

References

PubChem Literature

From Data Sources

• Cassidy, K.C. et al.: J. Pharmac. Biomed. Anal., 22, 869 (2002)

• Jeffrey, A.D. et al.: Drug Chem. Toxicol., 25, 93 (2002)

Bioactivity

PubChem BioAssay

Molecule

ID:13731