2-Chloro-4-methyl-3-nitropyridine - CAS 23056-39-5
Catalog: |
BB017888 |
Product Name: |
2-Chloro-4-methyl-3-nitropyridine |
CAS: |
23056-39-5 |
Synonyms: |
2-chloro-4-methyl-3-nitropyridine |
IUPAC Name: | 2-chloro-4-methyl-3-nitropyridine |
Description: | A cyclopropyldipyridodiazepinone derivative for use as non-nucleoside reverse transcriptase inhibitors. |
Molecular Weight: | 172.57 |
Molecular Formula: | C6H5ClN2O2 |
Canonical SMILES: | CC1=C(C(=NC=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3 |
InChI Key: | JHARVUVBTAAPLA-UHFFFAOYSA-N |
Boiling Point: | 279.6 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.406 g/cm3 |
MDL: | MFCD00012347 |
LogP: | 2.47480 |
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-2021175199-A1 | Aromatic heterocyclic compound and application thereof in drug | 20200302 |
WO-2021169963-A1 | Aromatic compound and use thereof in preparing antineoplastic drugs | 20200224 |
WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 20200212 |
CN-112159405-A | Pyridopyrimidinone compounds and application thereof | 20200204 |
CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 20200204 |
PMID | Publication Date | Title | Journal |
22446780 | 20120615 | A comparative study on vibrational, conformational and electronic structure of 2-chloro-4-methyl-3-nitropyridine and 2-chloro-6-methylpyridine | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 159 |
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: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0039551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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