Methyl 4-Amino-5-nitropyridine-2-carboxylate - CAS 850544-21-7
Catalog: |
BB037429 |
Product Name: |
Methyl 4-Amino-5-nitropyridine-2-carboxylate |
CAS: |
850544-21-7 |
Synonyms: |
4-amino-5-nitro-2-pyridinecarboxylic acid methyl ester; methyl 4-amino-5-nitropyridine-2-carboxylate |
IUPAC Name: | methyl 4-amino-5-nitropyridine-2-carboxylate |
Description: | Methyl 4-Amino-5-nitropyridine-2-carboxylate (CAS# 850544-21-7) is a useful research chemical. |
Molecular Weight: | 197.15 |
Molecular Formula: | C7H7N3O4 |
Canonical SMILES: | COC(=O)C1=NC=C(C(=C1)N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7N3O4/c1-14-7(11)5-2-4(8)6(3-9-5)10(12)13/h2-3H,1H3,(H2,8,9) |
InChI Key: | UNPOGSAFUSHRDJ-UHFFFAOYSA-N |
LogP: | 1.46300 |
Publication Number | Title | Priority Date |
AU-2011349524-A1 | Quinoxalines and aza-quinoxalines as CRTH2 receptor modulators | 20101223 |
CA-2818597-A1 | Quinoxalines and aza-quinoxalines as crth2 receptor modulators | 20101223 |
CN-103702985-A | Quinoxalines and aza-quinoxalines as crth2 receptor modulators | 20101223 |
CN-103702985-B | As CRTH 2the quinoxaline of receptor modulators and azaquinoxaline | 20101223 |
EP-2661428-A1 | Quinoxalines and aza-quinoxalines as crth2 receptor modulators | 20101223 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.04365571 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.04365571 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 111 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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