2-Amino-6-chloropyridine-3-carboxylic acid - CAS 58584-92-2
Catalog: |
BB030095 |
Product Name: |
2-Amino-6-chloropyridine-3-carboxylic acid |
CAS: |
58584-92-2 |
Synonyms: |
2-amino-6-chloropyridine-3-carboxylic acid |
IUPAC Name: | 2-amino-6-chloropyridine-3-carboxylic acid |
Description: | 2-Amino-6-chloropyridine-3-carboxylic acid (CAS# 58584-92-2) is a useful synthetic intermediate. It is used in the synthesis of thiamine antagonist transketolase inhibitors. It is also used to prepare 2-aminonicotinic acid 1-oxides as inhibitors of quinolinic acid synthesis in the mammalian brain. |
Molecular Weight: | 172.57 |
Molecular Formula: | C6H5ClN2O2 |
Canonical SMILES: | C1=CC(=NC(=C1C(=O)O)N)Cl |
InChI: | InChI=1S/C6H5ClN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H2,8,9)(H,10,11) |
InChI Key: | INERBKPRIWEQRQ-UHFFFAOYSA-N |
Boiling Point: | 383.321 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.577 g/cm3 |
Appearance: | Solid |
MDL: | MFCD11045328 |
LogP: | 1.59660 |
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-2021209900-A1 | Inhibitors of human immunodeficiency virus replication | 20200415 |
WO-2021176366-A1 | Inhibitors of human immunodeficiency virus replication | 20200306 |
WO-2021176367-A1 | Inhibitors of human immunodeficiency virus replication | 20200306 |
WO-2021070054-A1 | Inhibitors of human immunodeficiency virus replication | 20191008 |
WO-2021064571-A1 | N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication | 20191001 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0039551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Carbonyl Compounds
Pyridines
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