Methyl 1H-Pyrrolo[2,3-b]pyridine-3-carboxylate - CAS 808137-94-2
Catalog: |
BB036555 |
Product Name: |
Methyl 1H-Pyrrolo[2,3-b]pyridine-3-carboxylate |
CAS: |
808137-94-2 |
Synonyms: |
1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester; methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate |
IUPAC Name: | methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate |
Description: | Methyl 1H-Pyrrolo[2,3-b]pyridine-3-carboxylate (CAS# 808137-94-2) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC(=O)C1=CNC2=C1C=CC=N2 |
InChI: | InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11) |
InChI Key: | XYRUNIAHPKBUJT-UHFFFAOYSA-N |
Density: | 1.324 g/cm3 |
MDL: | MFCD09864656 |
LogP: | 1.34950 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017376817-A1 | Heparanase inhibitors and use thereof | 20161213 |
CA-3046997-A1 | Heparanase inhibitors and use thereof | 20161213 |
EP-3554505-A1 | Methods of treating ocular disorders | 20161213 |
EP-3555051-A1 | Heparanase inhibitors and use thereof | 20161213 |
JP-2020503377-A | Heparanase inhibitors and uses thereof | 20161213 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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