5-Chloropyrrolo[2,3-b]pyridine-4-carbaldehyde - CAS 1015610-39-5
Catalog: |
BB000547 |
Product Name: |
5-Chloropyrrolo[2,3-b]pyridine-4-carbaldehyde |
CAS: |
1015610-39-5 |
Synonyms: |
5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxaldehyde; 5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde |
IUPAC Name: | 5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde |
Description: | 5-Chloropyrrolo[2,3-b]pyridine-4-carbaldehyde (CAS# 1015610-39-5) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CNC2=NC=C(C(=C21)C=O)Cl |
InChI: | InChI=1S/C8H5ClN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11) |
InChI Key: | PHZFFVFGFZWMFD-UHFFFAOYSA-N |
MDL: | MFCD09965890 |
LogP: | 2.02880 |
Publication Number | Title | Priority Date |
CA-2963951-A1 | Tetrahydroisoquinoline derivatives | 20141008 |
EP-3204359-A1 | Tetrahydroisoquinoline derivatives | 20141008 |
EP-3204359-B1 | Tetrahydroisoquinoline derivatives | 20141008 |
EP-3204374-A1 | Isoindoline derivatives | 20141008 |
EP-3204374-B1 | Isoindoline derivatives | 20141008 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0090405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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