Methyl 3-amino-5-bromo-6-cyclopropylthieno-[2,3-b]pyridine-2-carboxylate|methyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate|methyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyri...

General Information

Structure

Molecular Formula

C₁₂H₁₁BrN₂O₂S

Molecular Mass

327.19694

Exact Mass

325.9724606

Charge

InChI

InChI=1S/C12H11BrN2O2S/c1-17-12(16)10-8(14)6-4-7(13)9(5-2-3-5)15-11(6)18-10/h4-5H,2-3,14H2,1H3

InChIKey

QUZNZDKGPANPJC-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1sc2c(c1N)cc(c(n2)C1CC1)Br

Isomeric Smiles

c1(sc2c(c1N)cc(c(n2)C1CC1)Br)C(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6359692

LogD (pH = 7.4)

3.6359696

Log P

3.6359696

Molar Refractivity

73.3171

Polarizability

28.136858

Polar Surface Area

65.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Methyl 3-amino-5-bromo-6-cyclopropylthieno-[2,3-b]pyridine-2-carboxylateMethyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate 95+%3-Amino-5-bromo-6-cyclopropyl-2-(methoxycarbonyl)thieno[2,3-b]pyridinemethyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

IUPAC name

methyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

IUPAC Traditional name

methyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD14584778

PubChem SID

162055813

PubChem CID

49757499