2-Methoxy-4,6-dimethylnicotinonitrile - CAS 65515-39-1
Catalog: |
BB032751 |
Product Name: |
2-Methoxy-4,6-dimethylnicotinonitrile |
CAS: |
65515-39-1 |
Synonyms: |
2-methoxy-4,6-dimethyl-3-pyridinecarbonitrile; 2-methoxy-4,6-dimethylpyridine-3-carbonitrile |
IUPAC Name: | 2-methoxy-4,6-dimethylpyridine-3-carbonitrile |
Description: | 2-Methoxy-4,6-dimethylnicotinonitrile (CAS# 65515-39-1) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C9H10N2O |
Canonical SMILES: | CC1=CC(=NC(=C1C#N)OC)C |
InChI: | InChI=1S/C9H10N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,1-3H3 |
InChI Key: | WEJLKGQPSKTCBR-UHFFFAOYSA-N |
MDL: | MFCD00124716 |
LogP: | 1.57868 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017260854-A1 | Enhancer of Zeste Homolog 2 inhibitors | 20160505 |
CA-3023157-A1 | Enhancer of zeste homolog 2 inhibitors | 20160505 |
EP-3452483-A1 | Enhancer of zeste homolog 2 inhibitors | 20160505 |
EP-3452483-B1 | Enhancer of zeste homolog 2 inhibitors | 20160505 |
JP-2019516685-A | Enhancer of ZESTE Homolog 2 Inhibitor | 20160505 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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