3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)-acrylic acid methyl ester - CAS 945029-05-0
Catalog: |
BB041400 |
Product Name: |
3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)-acrylic acid methyl ester |
CAS: |
945029-05-0 |
Synonyms: |
methyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate |
IUPAC Name: | methyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate |
Description: | 3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)-acrylic acid methyl ester (CAS# 945029-05-0) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C11H10N2O2 |
Canonical SMILES: | COC(=O)C=CC1=CN=C2C(=C1)C=CN2 |
InChI: | InChI=1S/C11H10N2O2/c1-15-10(14)3-2-8-6-9-4-5-12-11(9)13-7-8/h2-7H,1H3,(H,12,13)/b3-2+ |
InChI Key: | SWDITGRTPKJPDC-NSCUHMNNSA-N |
Melting Point: | 192-193 ℃ |
Purity: | 95 % |
Density: | 1.295 g/cm3 |
MDL: | MFCD09260185 |
LogP: | 1.74910 |
Publication Number | Title | Priority Date |
EP-2427433-A1 | Solid forms of sulfonamides and amino acids | 20090506 |
JP-2012526128-A | Solid forms of sulfonamides and amino acids | 20090506 |
US-2012122860-A1 | Solid forms of sulfonamides and amino acids | 20090506 |
WO-2010129570-A1 | Solid forms of sulfonamides and amino acids | 20090506 |
US-2008167338-A1 | Compounds and methods for kinase modulation, and indications therefor | 20061221 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 202.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Pyridines
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