Ethyl 6-(Hydroxymethyl)nicotinate - CAS 35005-81-3
Catalog: |
BB022393 |
Product Name: |
Ethyl 6-(Hydroxymethyl)nicotinate |
CAS: |
35005-81-3 |
Synonyms: |
6-(hydroxymethyl)-3-pyridinecarboxylic acid ethyl ester; ethyl 6-(hydroxymethyl)pyridine-3-carboxylate |
IUPAC Name: | ethyl 6-(hydroxymethyl)pyridine-3-carboxylate |
Description: | Ethyl 6-(Hydroxymethyl)nicotinate (CAS# 35005-81-3) is a useful research chemical. |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | CCOC(=O)C1=CN=C(C=C1)CO |
InChI: | InChI=1S/C9H11NO3/c1-2-13-9(12)7-3-4-8(6-11)10-5-7/h3-5,11H,2,6H2,1H3 |
InChI Key: | RDSGPHNFOMPILP-UHFFFAOYSA-N |
MDL: | MFCD12131130 |
LogP: | 0.75060 |
Publication Number | Title | Priority Date |
WO-2021058754-A1 | Pharmaceutical compounds | 20190926 |
AU-2018257719-A1 | Pyrrole derivatives as PLK1 inhibitors | 20170428 |
CN-110573503-A | pyrrole derivatives as PLK1 inhibitors | 20170428 |
EP-3615525-A1 | Pyrrole derivatives as plk1 inhibitors | 20170428 |
WO-2018197714-A1 | Pyrrole derivatives as plk1 inhibitors | 20170428 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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