3-Bromo-4-hydroxythieno[3,2-c]pyridine - CAS 799293-83-7
Catalog: |
BB036431 |
Product Name: |
3-Bromo-4-hydroxythieno[3,2-c]pyridine |
CAS: |
799293-83-7 |
Synonyms: |
3-bromo-5H-thieno[3,2-c]pyridin-4-one |
IUPAC Name: | 3-bromo-5H-thieno[3,2-c]pyridin-4-one |
Description: | 3-Bromo-4-hydroxythieno[3,2-c]pyridine (CAS# 799293-83-7) is a useful research chemical. |
Molecular Weight: | 230.08 |
Molecular Formula: | C7H4BrNOS |
Canonical SMILES: | C1=CNC(=O)C2=C1SC=C2Br |
InChI: | InChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3H,(H,9,10) |
InChI Key: | AMWQWPCIUPRUFH-UHFFFAOYSA-N |
LogP: | 2.76440 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
EP-3386591-A1 | Heteroaromatic nmda receptor modulators and uses thereof | 20151209 |
EP-3386591-B1 | Heteroaromatic nmda receptor modulators and uses thereof | 20151209 |
JP-2018536685-A | Heteroaromatic NMDA receptor modulators and uses thereof | 20151209 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.9197 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.9197 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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