CAS 3430-16-8|3-Bromo-5-methylpyridine|3-bromo-5-methylpyridine|3-bromo-5-methylpyridine|5-Bromo-3-picoline|3-Bromo-5-methylpyridine|5-Bromo-3-methylpyridine|5-Bromo-3-picoline|3-Bromo-5-methylpyrid...

Molecular Formula

C₆H₆BrN

Molecular Mass

172.02254

Exact Mass

170.9683612

InChI

InChI=1S/C6H6BrN/c1-5-2-6(7)4-8-3-5/h2-4H,1H3

InChIKey

ADCLTLQMVAEBLB-UHFFFAOYSA-N

Canonic Smiles

Cc1cncc(c1)Br

Isomeric Smiles

c1c(cc(cn1)C)Br

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0272825

LogD (pH = 7.4)

2.0376136

Log P

2.0377474

Molar Refractivity

36.5651

Polarizability

14.019956

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

817713

Synonyms

3-Bromo-5-methylpyridine5-Bromo-3-picoline3-Bromo-5-methylpyridine5-Bromo-3-methylpyridine5-Bromo-3-picoline3-Bromo-5-methylpyridine3-溴-5-甲基吡啶

IUPAC name

3-bromo-5-methylpyridine

IUPAC Traditional name

3-bromo-5-methylpyridine

CAS Number

3430-16-8

MDL Number

MFCD01646141

PubChem SID

160985531

Storage Warning

IRRITANT

Harmful/Irritant

TSCA Listed

false

否

MSDS Link

Download link

Risk Statements

22-41

20/21/22-36/37/38

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

GHS Signal Word

Danger

European Hazard Symbols

Harmful (Xn)

Harmful (X)

GHS Hazard statements

H302-H318

H301-H311-H332-H315-H319-H335

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Precautionary statements

P280-P305+P351+P338

P261-P301+P310-P305+P351+P338-P361-P405-P501A

German water hazard class

Safety Statements

26-39

26-36/37

Physical Property

Product Information

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

681245

Packaging
250 mg in glass bottle

TRC

B685580

5-Bromo-3-picoline is an intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity.

From Data Sources

• Davies, H., et al.: Nature, 451, 417 (2005)

• Godula, K., et al.: Science, 312, 67 (2005)

• Tomasi, J., et al.: Chem. Rev., 105, 2999 (2005)

Academic Data

PubChem

817713

Synonyms

3-Bromo-5-methylpyridine5-Bromo-3-picoline3-Bromo-5-methylpyridine5-Bromo-3-methylpyridine5-Bromo-3-picoline3-Bromo-5-methylpyridine3-溴-5-甲基吡啶

IUPAC name

3-bromo-5-methylpyridine

IUPAC Traditional name

3-bromo-5-methylpyridine

CAS Number

MDL Number

PubChem SID

681245

Packaging
250 mg in glass bottle

TRC

B685580

5-Bromo-3-picoline is an intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity.

From Data Sources

• Davies, H., et al.: Nature, 451, 417 (2005)

• Godula, K., et al.: Science, 312, 67 (2005)

• Tomasi, J., et al.: Chem. Rev., 105, 2999 (2005)

Safety Information

Physical Property

Product Information

Molecule

ID:22224