2-Amino-4-methyl-3-nitropyridine - CAS 6635-86-5
Catalog: |
BB033002 |
Product Name: |
2-Amino-4-methyl-3-nitropyridine |
CAS: |
6635-86-5 |
Synonyms: |
4-methyl-3-nitropyridin-2-amine |
IUPAC Name: | 4-methyl-3-nitropyridin-2-amine |
Description: | 2-Amino-4-methyl-3-nitropyridine (CAS# 6635-86-5) is a compound useful in organic synthesis. It is used as a reagent in the preparation of HIV-attachment inhibitor BMS-663068. |
Molecular Weight: | 153.14 |
Molecular Formula: | C6H7N3O2 |
Canonical SMILES: | CC1=C(C(=NC=C1)N)[N+](=O)[O-] |
InChI: | InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8) |
InChI Key: | IKMZGACFMXZAAT-UHFFFAOYSA-N |
Boiling Point: | 306.8 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.354 g/cm3 |
MDL: | MFCD00006315 |
LogP: | 1.98480 |
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-2021144440-A1 | Quinoxaline derivatives as modulators of the glucocorticoid receptor | 20200117 |
US-2021122764-A1 | Small Molecule Inhibitors of KRAS G12C Mutant | 20191028 |
WO-2021086833-A1 | Small molecule inhibitors of kras g12c mutant | 20191028 |
EP-3353157-A1 | Far superior oxidation catalysts based on macrocyclic compounds | 20150925 |
US-2018304247-A1 | Far superior oxidation catalysts based on macrocyclic compounds | 20150925 |
PMID | Publication Date | Title | Journal |
22939283 | 20121001 | Molecular and crystal structures, vibrational studies and quantum chemical calculations of 3 and 5-nitroderivatives of 2-amino-4-methylpyridine | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21582886 | 20090620 | 4-Methyl-3-nitro-pyridin-2-amine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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