Dimethyl 2,6-pyridinedicarboxylate - CAS 5453-67-8
Catalog: |
BB028711 |
Product Name: |
Dimethyl 2,6-pyridinedicarboxylate |
CAS: |
5453-67-8 |
Synonyms: |
dimethyl pyridine-2,6-dicarboxylate |
IUPAC Name: | dimethyl pyridine-2,6-dicarboxylate |
Description: | Dimethyl 2,6-pyridinedicarboxylate (CAS# 5453-67-8) is a compound useful in organic synthesis. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | COC(=O)C1=NC(=CC=C1)C(=O)OC |
InChI: | InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3 |
InChI Key: | SNQQJEJPJMXYTR-UHFFFAOYSA-N |
Boiling Point: | 321.7 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.231 g/cm3 |
Appearance: | Off-white solid |
MDL: | MFCD00134493 |
LogP: | 0.65480 |
GHS Hazard Statement: | H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461606-A | Pyridine dicarboxylic acid amine derivative as metal beta-lactamase inhibitor and preparation method thereof | 20210630 |
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PMID | Publication Date | Title | Journal |
22412714 | 20120301 | 2,2'-[(2S*,6R*)-Piperidine-2,6-di-yl]-di-pro-pan-2-ol | Acta crystallographica. Section E, Structure reports online |
18054225 | 20080115 | Inhibiting dihydrodipicolinate synthase across species: towards specificity for pathogens? | Bioorganic & medicinal chemistry letters |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Carbonyl Compounds
Pyridines
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