6-Methylpyridine-2-carboxaldehyde - CAS 1122-72-1
Catalog: |
BB002918 |
Product Name: |
6-Methylpyridine-2-carboxaldehyde |
CAS: |
1122-72-1 |
Synonyms: |
6-methylpyridine-2-carbaldehyde |
IUPAC Name: | 6-methylpyridine-2-carbaldehyde |
Description: | 6-Methyl-2-pyridinecarboxaldehyde was used in the synthesis of 1-(10-cyano- and -10-bromo-5H-dibenzo[a,d]cyclohepten-5-yl)-4-[(arylmethylene)amino]piperazines which are compounds that exhibits anticonvulsant properties. |
Molecular Weight: | 121.14 |
Molecular Formula: | C7H7NO |
Canonical SMILES: | CC1=CC=CC(=N1)C=O |
InChI: | InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3 |
InChI Key: | AHISYUZBWDSPQL-UHFFFAOYSA-N |
Boiling Point: | 188.6 °C at 760 mmHg |
Melting Point: | 31-33 °C |
Purity: | 98 % |
Density: | 1.095 g/cm3 |
Appearance: | Light yellow to brown low melting solid |
Storage: | 0-6 °C |
MDL: | MFCD00006291 |
LogP: | 1.20250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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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 |
19565090 | 20090721 | Self-assembly of silver(i) and bis-bidentate N,N-donor ligands: from a tetranuclear complex to coordination polymers | Dalton transactions (Cambridge, England : 2003) |
18633538 | 20080807 | Kinetic resolution of esters via metal catalyzed methanolysis reactions | Organic & biomolecular chemistry |
17141289 | 20070101 | Synthesis of pyridine-carboxylate derivatives of hydroxysteroids for liquid chromatography-electrospray ionization-mass spectrometry | Steroids |
17847149 | 20070101 | Supramolecular circular helicates formed by destabilisation of supramolecular dimers | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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