4,6-dichloronicotinic acid - CAS 73027-79-9
Catalog: |
BB034742 |
Product Name: |
4,6-dichloronicotinic acid |
CAS: |
73027-79-9 |
Synonyms: |
4,6-dichloro-3-pyridinecarboxylic acid; 4,6-dichloropyridine-3-carboxylic acid |
IUPAC Name: | 4,6-dichloropyridine-3-carboxylic acid |
Description: | 4,6-dichloronicotinic acid (CAS# 73027-79-9) is a useful research chemical. |
Molecular Weight: | 192.00 |
Molecular Formula: | C6H3Cl2NO2 |
Canonical SMILES: | C1=C(C(=CN=C1Cl)C(=O)O)Cl |
InChI: | InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11) |
InChI Key: | ILMIEWNDXAKVNI-UHFFFAOYSA-N |
Boiling Point: | 337 ℃ at 760 mmHg |
Melting Point: | 158-160 ℃ |
Purity: | 95 % |
Density: | 1.612 g/cm3 |
MDL: | MFCD00234146 |
LogP: | 2.08660 |
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-2021047287-A1 | Nonpeptide somatostatin type 5 receptor agonists and uses thereof | 20190814 |
WO-2021026098-A1 | Kif18a inhibitors | 20190802 |
WO-2021003314-A1 | Heterocyclic compounds as kinase inhibitors | 20190702 |
WO-2020249773-A1 | Next-generation modulators of stimulator of interferon genes (sting) | 20190612 |
WO-2020132649-A1 | Heteroaryl amides useful as kif18a inhibitors | 20181220 |
PMID | Publication Date | Title | Journal |
21202720 | 20080503 | Methyl 4,6-dichloro-pyridine-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9540837 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9540837 |
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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