2-Aminoisonicotinic acid - CAS 13362-28-2
Catalog: |
BB007785 |
Product Name: |
2-Aminoisonicotinic acid |
CAS: |
13362-28-2 |
Synonyms: |
2-aminopyridine-4-carboxylic acid |
IUPAC Name: | 2-aminopyridine-4-carboxylic acid |
Description: | 2-Amino-isonicotinic acid (CAS# 13362-28-2) is a useful research chemical. An important derivative for isoniazid derivative synthesis. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | C1=CN=C(C=C1C(=O)O)N |
InChI: | InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10) |
InChI Key: | QMKZZQPPJRWDED-UHFFFAOYSA-N |
Boiling Point: | 498.5 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.417 g/cm3 |
MDL: | MFCD00233714 |
LogP: | 0.94320 |
GHS Hazard Statement: | H302 (84.78%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20532401 | 20100807 | Inhibition of chorismate-utilising enzymes by 2-amino-4-carboxypyridine and 4-carboxypyridone and 5-carboxypyridone analogues | Organic & biomolecular chemistry |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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