2-Acetyl-6-methylpyridine - CAS 6940-57-4
Catalog: |
BB033809 |
Product Name: |
2-Acetyl-6-methylpyridine |
CAS: |
6940-57-4 |
Synonyms: |
1-(6-methyl-2-pyridinyl)ethanone; 1-(6-methylpyridin-2-yl)ethanone |
IUPAC Name: | 1-(6-methylpyridin-2-yl)ethanone |
Description: | 2-Acetyl-6-methylpyridine (CAS# 6940-57-4) is a flavor constituent of rum. A useful synthetic and industrial reagent. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC1=CC=CC(=N1)C(=O)C |
InChI: | InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3 |
InChI Key: | FPQMUQPPAYCAME-UHFFFAOYSA-N |
Boiling Point: | 208.9 °C at 760 mmHg |
Density: | 1.036 g/cm3 |
Solubility: | 1.151e+004 mg/L at 25 °C (est) |
MDL: | MFCD06658293 |
LogP: | 1.59260 |
GHS Hazard Statement: | H302 (93.02%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
WO-2021072330-A1 | Galnac-tgfbr1 inhibitor conjugates for the treatment of liver diseases | 20191009 |
US-2020231591-A1 | Fused ring heteroaryl compounds as alk4/5 inhibitors | 20190122 |
WO-2020153676-A1 | A fused ring heteroaryl compound as an alk4/5 inhibitor | 20190122 |
EP-3556756-A1 | Substituted propanamides as inhibitors of nucleases | 20180417 |
PMID | Publication Date | Title | Journal |
20671978 | 20100101 | Antineoplastic Activity of New Transition Metal Complexes of 6-Methylpyridine-2-carbaldehyde-N(4)-ethylthiosemicarbazone: X-Ray Crystal Structures of [VO(2)(mpETSC)] and [Pt(mpETSC)Cl] | Bioinorganic chemistry and applications |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS