2-Chloro-4-iodo-nicotinic acid methyl ester - CAS 185041-05-8
Catalog: |
BB014185 |
Product Name: |
2-Chloro-4-iodo-nicotinic acid methyl ester |
CAS: |
185041-05-8 |
Synonyms: |
methyl 2-chloro-4-iodopyridine-3-carboxylate |
IUPAC Name: | methyl 2-chloro-4-iodopyridine-3-carboxylate |
Description: | 2-Chloro-4-iodo-nicotinic acid methyl ester (CAS# 185041-05-8) is a useful research chemical. |
Molecular Weight: | 297.48 |
Molecular Formula: | C7H5ClINO2 |
Canonical SMILES: | COC(=O)C1=C(C=CN=C1Cl)I |
InChI: | InChI=1S/C7H5ClINO2/c1-12-7(11)5-4(9)2-3-10-6(5)8/h2-3H,1H3 |
InChI Key: | FXGPTKSMXUWJGO-UHFFFAOYSA-N |
Boiling Point: | 304.4 °C at 760 mmHg |
Density: | 1.924 g/cm3 |
Appearance: | White to brown crystalline powder |
MDL: | MFCD04039871 |
LogP: | 2.12620 |
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 |
US-2016102073-A1 | 2-hydroxymethyl-substituted orexin receptor antagonists | 20130423 |
EP-2970124-B1 | Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof | 20130314 |
US-10227304-B2 | Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof | 20130314 |
US-2016107996-A1 | Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof | 20130314 |
US-2017320828-A1 | Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof | 20130314 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.90535 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.90535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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