CAS 1266343-30-9|5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine|5-bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine|5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine|5-Bromo-4-chloro-7-meth...

Molecular Formula

C₇H₅BrClN₃

Molecular Mass

246.4917

Exact Mass

244.93553686

InChI

InChI=1S/C7H5BrClN3/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3

InChIKey

QGPYXNYRUAFOHC-UHFFFAOYSA-N

Canonic Smiles

Cn1cc(c2c1ncnc2Cl)Br

Isomeric Smiles

c12c(n(cc1Br)C)ncnc2Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.326557

LogD (pH = 7.4)

2.3325334

Log P

2.3326101

Molar Refractivity

52.147

Polarizability

19.733372

Polar Surface Area

30.71

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

66545160

IUPAC name

5-bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

IUPAC Traditional name

5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine

Synonyms

5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine7-Bromo-6-chloro-9-methyl-7-deazapurine

MDL Number

CAS Number

PubChem SID

PubChem CID

Safety Information

Storage Warning

IRRITANT

MSDS Link

Download link

GHS Hazard statements

H315-H319-H335

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

26-37-60

P261-P305+P351+P338-P302+P352-P321-P405-P501A

36/37/38

Irritant (Xi)

否

Physical Property

Product Information

>95%

95+%

97%

Download link

No Data Available

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No Data Available

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TRC

B682470

Used in the preparation of indoline derivatives as PERK inhibitors.

No Data Available

Click here to submit data

Academic Data

PubChem

66545160

IUPAC name

5-bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

IUPAC Traditional name

5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine

Synonyms

5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine7-Bromo-6-chloro-9-methyl-7-deazapurine

MDL Number

CAS Number

PubChem SID

PubChem CID

B682470

Used in the preparation of indoline derivatives as PERK inhibitors.

No Data Available

Click here to submit data

Safety Information

Storage Warning

IRRITANT

MSDS Link

Download link

GHS Hazard statements

H315-H319-H335

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

26-37-60

P261-P305+P351+P338-P302+P352-P321-P405-P501A

36/37/38

Irritant (Xi)

否

Physical Property

Product Information

>95%

95+%

97%

Download link

Molecule

ID:71266