Methyl 2,6-dichloropyridine-4-carboxylate - CAS 42521-09-5
Catalog: |
BB025149 |
Product Name: |
Methyl 2,6-dichloropyridine-4-carboxylate |
CAS: |
42521-09-5 |
Synonyms: |
methyl 2,6-dichloropyridine-4-carboxylate |
IUPAC Name: | methyl 2,6-dichloropyridine-4-carboxylate |
Description: | Methyl 2,6-dichloropyridine-4-carboxylate (CAS# 42521-09-5) is used as an attractive and potential antitubercular agent. |
Molecular Weight: | 206.03 |
Molecular Formula: | C7H5Cl2NO2 |
Canonical SMILES: | COC(=O)C1=CC(=NC(=C1)Cl)Cl |
InChI: | InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3 |
InChI Key: | XSKGHSUHOYEBTK-UHFFFAOYSA-N |
Boiling Point: | 298.3 °C at 760 mmHg |
Density: | 1.426 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00044409 |
LogP: | 2.17500 |
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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Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9697338 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Carbonyl Compounds
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