CAS 17282-00-7|3-bromo-5-methylpyridin-2-amine|3-bromo-5-methylpyridin-2-amine|2-Amino-3-bromo-5-methylpyridine|3-bromo-5-methylpyridin-2-amine|6-Amino-5-bromo-3-picoline|3-Bromo-5-methylpyridin-2-a...

General Information

Structure

Molecular Formula

C₆H₇BrN₂

Molecular Mass

187.03718

Exact Mass

185.97926023

Charge

InChI

InChI=1S/C6H7BrN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)

InChIKey

NDPKXEWDWTZBDG-UHFFFAOYSA-N

Canonic Smiles

Cc1cnc(c(c1)Br)N

Isomeric Smiles

c1(cnc(c(c1)Br)N)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4615107

LogD (pH = 7.4)

1.7965201

Log P

1.8032789

Molar Refractivity

41.579

Polarizability

15.199912

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3-bromo-5-methylpyridin-2-amine

IUPAC name

3-bromo-5-methylpyridin-2-amine

Synonyms

2-Amino-3-bromo-5-methylpyridine3-bromo-5-methylpyridin-2-amine6-Amino-5-bromo-3-picoline3-Bromo-5-methylpyridin-2-amine2-Amino-3-bromo-5-methylpyridine2-氨基-3-溴-5-甲基吡啶3-Bromo-5-methyl-2-pyridinamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Beilstein Number

Registration numbers

Properties

Physical Property

Melting Point

74-75°C

73-76 °C(lit.)

70-74°C

Hydrophobicity(logP)

0.403

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

543071

Packaging
1, 5 g in glass bottle

TRC

A601810

Used for the preparation of imidazo[1,2-a]pyridines, imidazo[1,2-a]pyrazines, imidazo[1,2-c]pyrimidines, and imidazo[1,2-d]triazines as JNK and ERK kinase inhibitors.

Molecule Details

References

PubChem Literature

From Data Sources

• Urquiola, C., et al.: Bioorg. Med. Chem., 17, 1623 (2001)

• Lawrence, D., et al.: J. Med. Chem., 44, 594 (2001)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

3-bromo-5-methylpyridin-2-amine

IUPAC name

3-bromo-5-methylpyridin-2-amine

Synonyms

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Beilstein Number

Molecule Details

543071

Packaging
1, 5 g in glass bottle

TRC

A601810

Used for the preparation of imidazo[1,2-a]pyridines, imidazo[1,2-a]pyrazines, imidazo[1,2-c]pyrimidines, and imidazo[1,2-d]triazines as JNK and ERK kinase inhibitors.

References

PubChem Literature

From Data Sources

• Urquiola, C., et al.: Bioorg. Med. Chem., 17, 1623 (2001)

• Lawrence, D., et al.: J. Med. Chem., 44, 594 (2001)

Bioactivity

PubChem BioAssay

Properties

Physical Property

Melting Point

74-75°C

73-76 °C(lit.)

70-74°C

Hydrophobicity(logP)

0.403

Molecule

ID:6789