Ethyl 2-(3-Bromo-2-pyridyl)acetate - CAS 197376-41-3
Catalog: |
BB015249 |
Product Name: |
Ethyl 2-(3-Bromo-2-pyridyl)acetate |
CAS: |
197376-41-3 |
Synonyms: |
2-(3-bromo-2-pyridinyl)acetic acid ethyl ester; ethyl 2-(3-bromopyridin-2-yl)acetate |
IUPAC Name: | ethyl 2-(3-bromopyridin-2-yl)acetate |
Description: | Ethyl 2-(3-Bromo-2-pyridyl)acetate (CAS# 197376-41-3) is a useful research chemical. |
Molecular Weight: | 244.09 |
Molecular Formula: | C9H10BrNO2 |
Canonical SMILES: | CCOC(=O)CC1=C(C=CC=N1)Br |
InChI: | InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-8-7(10)4-3-5-11-8/h3-5H,2,6H2,1H3 |
InChI Key: | QRYDVMPGEGDIGJ-UHFFFAOYSA-N |
LogP: | 1.94970 |
Publication Number | Title | Priority Date |
US-10683285-B2 | Modulators of hemoglobin | 20181119 |
US-2020157085-A1 | Modulators of hemoglobin | 20181119 |
WO-2020106642-A1 | 2-formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin | 20181119 |
US-2021047309-A1 | Modulators of hemoglobin | 20181119 |
CN-113316568-A | 2-formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin | 20181119 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.98949 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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