2-Nitronicotinic Acid - CAS 33225-72-8
Catalog: |
BB021615 |
Product Name: |
2-Nitronicotinic Acid |
CAS: |
33225-72-8 |
Synonyms: |
2-nitro-3-pyridinecarboxylic acid; 2-nitropyridine-3-carboxylic acid |
IUPAC Name: | 2-nitropyridine-3-carboxylic acid |
Description: | 2-Nitronicotinic Acid (CAS# 33225-72-8) is a useful research chemical. |
Molecular Weight: | 168.11 |
Molecular Formula: | C6H4N2O4 |
Canonical SMILES: | C1=CC(=C(N=C1)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C6H4N2O4/c9-6(10)4-2-1-3-7-5(4)8(11)12/h1-3H,(H,9,10) |
InChI Key: | RIMQELJEDBHDQZ-UHFFFAOYSA-N |
Boiling Point: | 412.8 °C at 760 mmHg |
Density: | 1.57 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD04114130 |
LogP: | 1.21120 |
Publication Number | Title | Priority Date |
JP-6494886-B1 | 6H-thieno [2,3-e] [1,2,4] triazolo [3,4-c] [1,2,4] triazepine derivatives | 20170531 |
CN-104370807-B | The synthetic method of a kind of 6-hydroxyl-5-nitronicotinic acid and process for separation and purification thereof | 20141113 |
JP-2016094407-A | Novel TRPM8 inhibitor | 20141107 |
US-10221146-B2 | Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease | 20131220 |
US-2016304476-A1 | TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE | 20131220 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.01710661 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.01710661 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 96 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Pyridines
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