2-Chloro-4-iodopyridine-3-carboxylic acid - CAS 544671-78-5
Catalog: |
BB028684 |
Product Name: |
2-Chloro-4-iodopyridine-3-carboxylic acid |
CAS: |
544671-78-5 |
Synonyms: |
2-chloro-4-iodopyridine-3-carboxylic acid |
IUPAC Name: | 2-chloro-4-iodopyridine-3-carboxylic acid |
Description: | 2-Chloro-4-iodopyridine-3-carboxylic acid (CAS# 544671-78-5) is a useful research chemical. |
Molecular Weight: | 283.45 |
Molecular Formula: | C6H3ClINO2 |
Canonical SMILES: | C1=CN=C(C(=C1I)C(=O)O)Cl |
InChI: | InChI=1S/C6H3ClINO2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H,10,11) |
InChI Key: | XOMBFOCJXYZRSI-UHFFFAOYSA-N |
Boiling Point: | 369.284 °C at 760 mmHg |
Density: | 2.194 g/cm3 |
Appearance: | Solid |
MDL: | MFCD05663520 |
LogP: | 2.03780 |
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-2016304490-A1 | 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists | 20131209 |
US-9975876-B2 | 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists | 20131209 |
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 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.88970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.88970 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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