2,6-Dimethoxypyridine-3-carbonitrile - CAS 121643-45-6
Catalog: |
BB005229 |
Product Name: |
2,6-Dimethoxypyridine-3-carbonitrile |
CAS: |
121643-45-6 |
Synonyms: |
2,6-dimethoxypyridine-3-carbonitrile |
IUPAC Name: | 2,6-dimethoxypyridine-3-carbonitrile |
Description: | 2,6-Dimethoxypyridine-3-carbonitrile (CAS# 121643-45-6 ) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C8H8N2O2 |
Canonical SMILES: | COC1=NC(=C(C=C1)C#N)OC |
InChI: | InChI=1S/C8H8N2O2/c1-11-7-4-3-6(5-9)8(10-7)12-2/h3-4H,1-2H3 |
InChI Key: | FBFJMMFGOXVFIO-UHFFFAOYSA-N |
Boiling Point: | 283.86 °C at 760 mmHg |
Density: | 1.191 g/cm3 |
LogP: | 0.97048 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
PMID | Publication Date | Title | Journal |
12585886 | 20030221 | Regioselective photocycloaddition of pyridine derivatives to electron-rich alkenes | The Journal of organic chemistry |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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