2-Chloropyridine-4-carboxylic acid - CAS 6313-54-8
Catalog: |
BB032019 |
Product Name: |
2-Chloropyridine-4-carboxylic acid |
CAS: |
6313-54-8 |
Synonyms: |
2-chloropyridine-4-carboxylic acid |
IUPAC Name: | 2-chloropyridine-4-carboxylic acid |
Description: | 2-Chloropyridine-4-carboxylic acid (CAS# 6313-54-8) is a derivative of Isonicotinic Acid (I821760) and is used as a reagent in the synthesis of (phenylmorpholinyl)pyrimidinones as selective and orally active glycogen synthase kinase-3β inhibitors. |
Molecular Weight: | 157.55 |
Molecular Formula: | C6H4ClNO2 |
Canonical SMILES: | C1=CN=C(C=C1C(=O)O)Cl |
InChI: | InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10) |
InChI Key: | QXCOHSRHFCHCHN-UHFFFAOYSA-N |
Boiling Point: | 417.7 ℃ at 760 mmHg |
Melting Point: | 246 ℃ |
Purity: | 95 % |
Density: | 1.47 g/cm3 |
Appearance: | White crystall powder |
MDL: | MFCD00191402 |
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-2021126999-A1 | Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor | 20191217 |
WO-2021099518-A1 | Novel compounds for the diagnosis, treatment and prevention of diseases associated with the aggregation of alpha-synuclein | 20191119 |
WO-2021073373-A1 | Amide compounds and preparation method therefor and use thereof | 20191015 |
WO-2021032936-A1 | Enzyme inhibitors | 20190821 |
WO-2021032937-A1 | Enzyme inhibitors | 20190821 |
PMID | Publication Date | Title | Journal |
16995662 | 20060929 | Practical formal total syntheses of the homocamptothecin derivative and anticancer agent diflomotecan via asymmetric acetate aldol additions to pyridine ketone substrates | The Journal of organic chemistry |
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: | 1.1 |
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Carbonyl Compounds
Pyridines
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