3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol - CAS 898561-63-2
Catalog: |
BB039642 |
Product Name: |
3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol |
CAS: |
898561-63-2 |
Synonyms: |
3-(5-methoxypyridin-3-yl)prop-2-yn-1-ol |
IUPAC Name: | 3-(5-methoxypyridin-3-yl)prop-2-yn-1-ol |
Description: | 3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol (CAS# 898561-63-2) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | COC1=CN=CC(=C1)C#CCO |
InChI: | InChI=1S/C9H9NO2/c1-12-9-5-8(3-2-4-11)6-10-7-9/h5-7,11H,4H2,1H3 |
InChI Key: | FSRHMNFOVSQJHP-UHFFFAOYSA-N |
Boiling Point: | 324.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.2 g/cm3 |
MDL: | MFCD08457778 |
LogP: | 0.43400 |
Publication Number | Title | Priority Date |
CN-111285873-A | RET inhibitors, pharmaceutical compositions thereof and uses thereof | 20181207 |
CN-111285874-A | RET inhibitors, pharmaceutical compositions thereof and uses thereof | 20181207 |
WO-2020114487-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
WO-2020114494-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
EP-3891148-A1 | Ret inhibitors, pharmaceutical compositions and uses thereof | 20181207 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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