CAS 1186310-86-0|tert-Butyl (6-bromofuro[3,2-b]pyridin-2-yl)-methylcarbamate|tert-butyl N-({6-bromofuro[3,2-b]pyridin-2-yl}methyl)carbamate|tert-butyl N-({6-bromofuro[3,2-b]pyridin-2-yl}methyl)carba...

General Information

Structure

Molecular Formula

C₁₃H₁₅BrN₂O₃

Molecular Mass

327.1738

Exact Mass

326.02660435

Charge

InChI

InChI=1S/C13H15BrN2O3/c1-13(2,3)19-12(17)16-7-9-5-10-11(18-9)4-8(14)6-15-10/h4-6H,7H2,1-3H3,(H,16,17)

InChIKey

YJVWCTUDWFQTDA-UHFFFAOYSA-N

Canonic Smiles

O=C(OC(C)(C)C)NCc1cc2c(o1)cc(cn2)Br

Isomeric Smiles

c1c(cc2c(n1)cc(o2)CNC(=O)OC(C)(C)C)Br

Calculated Properties

JChem

Acid pKa

12.755526

H Acceptors

H Donor

LogD (pH = 5.5)

2.6071458

LogD (pH = 7.4)

2.6071646

Log P

2.6071668

Molar Refractivity

73.2169

Polarizability

29.587828

Polar Surface Area

64.36

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

tert-Butyl (6-bromofuro[3,2-b]pyridin-2-yl)-methylcarbamatetert-Butyl (6-bromofuro[3,2-b]pyridin-2-yl)methylcarbamatetert-Butyl (6-bromofuro[3,2-b]pyridin-2-yl)methylcarbamate

IUPAC name

tert-butyl N-({6-bromofuro[3,2-b]pyridin-2-yl}methyl)carbamate

IUPAC Traditional name

tert-butyl N-({6-bromofuro[3,2-b]pyridin-2-yl}methyl)carbamate

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

MSDS Link

Download link

TSCA Listed

false

Storage Warning

IRRITANT

Product Information

Empirical Formula (Hill Notation)

C13H15BrN2O3

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE001162

Other Notes
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Product of Adesis

Molecule Details

References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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