6-Chloro-2-pyridinecarboxylic Acid - CAS 4684-94-0
Catalog: |
BB026184 |
Product Name: |
6-Chloro-2-pyridinecarboxylic Acid |
CAS: |
4684-94-0 |
Synonyms: |
6-Chloropicolinic Acid; 2-Chloropyridine-6-carboxylic Acid |
IUPAC Name: | 6-chloropyridine-2-carboxylic acid |
Description: | 6-Chloro-2-pyridinecarboxylic Acid (CAS# 4684-94-0) is an intermediate of Sorafenib b(S676850), a multiple kinase inhibitor targeting both RAF kinase and receptor tyrosine kinases that promote angiogensis. Antineoplastic. |
Molecular Weight: | 157.55 |
Molecular Formula: | C6H4ClNO2 |
Canonical SMILES: | C1=CC(=NC(=C1)Cl)C(=O)O |
InChI: | InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10) |
InChI Key: | ZLKMOIHCHCMSFW-UHFFFAOYSA-N |
Boiling Point: | 323.2 °C at 760 mmHg |
Melting Point: | 185-189 °C |
Purity: | > 98 % |
Density: | 1.470 g/cm3 (Predicted) |
Solubility: | Slightly soluble in Water, DMSO, Methanol |
Appearance: | White to pale yellow solid |
Storage: | -20 °C |
MDL: | MFCD00155390 |
LogP: | 1.43320 |
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 |
WO-2021099518-A1 | Novel compounds for the diagnosis, treatment and prevention of diseases associated with the aggregation of alpha-synuclein | 20191119 |
WO-2020222189-A1 | Crystalline form of 6-[4-[1-(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-n-(pyrdin-4-yl)pyridine-2-carboxamide | 20190502 |
WO-2020222190-A1 | Crystalline form of 6-[4-[1 -(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1 -yl]-n-(pyrdin-4-yl)pyridine-2-carboxamide | 20190502 |
WO-2019204180-A1 | Novel [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors | 20180419 |
EP-3781142-A1 | Novel [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors | 20180419 |
PMID | Publication Date | Title | Journal |
16820854 | 20060701 | Reactivity of halides with triplets of 6-chloro and 6-bromopicolinic acids: contrasting effects of bromide and chloride | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.9930561 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.9930561 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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