2-(6-Methoxy-2-pyridyl)acetonitrile - CAS 1000512-48-0
Catalog: |
BB000038 |
Product Name: |
2-(6-Methoxy-2-pyridyl)acetonitrile |
CAS: |
1000512-48-0 |
Synonyms: |
2-(6-methoxy-2-pyridinyl)acetonitrile; 2-(6-methoxypyridin-2-yl)acetonitrile |
IUPAC Name: | 2-(6-methoxypyridin-2-yl)acetonitrile |
Description: | 2-(6-Methoxy-2-pyridyl)acetonitrile (CAS# 1000512-48-0) is a useful research chemical. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | COC1=CC=CC(=N1)CC#N |
InChI: | InChI=1S/C8H8N2O/c1-11-8-4-2-3-7(10-8)5-6-9/h2-4H,5H2,1H3 |
InChI Key: | XNYIRHWBNGDYPU-UHFFFAOYSA-N |
Boiling Point: | 255.2 ℃ at 760 mmHg |
Density: | 1.115 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 1.15628 |
Publication Number | Title | Priority Date |
US-2021299100-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
WO-2021186324-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
AU-2015285142-A1 | Heterocyclic compounds and their use as Retinoid-related orphan receptor (ROR) gamma-T inhibitors | 20140701 |
AU-2015285142-B2 | Heterocyclic compounds and their use as Retinoid-related orphan receptor (ROR) gamma-T inhibitors | 20140701 |
CA-2954042-A1 | Heterocyclic compounds and their use as retinoid-related orphan receptor (ror) gamma-t inhibitors | 20140701 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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