2-Chloro-4-methyl-5-nitropyridine - CAS 23056-33-9
Catalog: |
BB017885 |
Product Name: |
2-Chloro-4-methyl-5-nitropyridine |
CAS: |
23056-33-9 |
Synonyms: |
Pyridine, 2-chloro-4-methyl-5-nitro-; 4-Picoline, 2-chloro-5-nitro-; 2-Chloro-5-nitro-4-methylpyridine; 2-Chloro-5-nitro-4-picoline; NSC 402978 |
IUPAC Name: | 2-chloro-4-methyl-5-nitropyridine |
Molecular Weight: | 172.57 |
Molecular Formula: | C6H5ClN2O2 |
Canonical SMILES: | CC1=CC(=NC=C1[N+](=O)[O-])Cl |
InChI: | InChI=1S/C6H5ClN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3 |
InChI Key: | HWZUMEVIIGNXGM-UHFFFAOYSA-N |
Boiling Point: | 91.2°C |
Melting Point: | 38.5-39.5°C |
Purity: | ≥95% |
Density: | 1.406±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | Light Cream to Light Brown Crystalline Powder or Chunks |
Storage: | Store at RT |
MDL: | MFCD00010688 |
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 |
CN-112661754-A | Polycyclic compound for inhibiting RNA helicase DHX33 | 20201230 |
WO-2021202254-A1 | Factor xi activation inhibitors | 20200401 |
WO-2021136722-A1 | Pesticidally active heterocyclic derivatives with sulfur containing substituents | 20191231 |
WO-2021062316-A1 | Azaindole carboxamide compounds for the treatment of mycobacterial infections | 20190926 |
US-2021032251-A1 | Heterobicyclic amides as inhibitors of cd38 | 20190731 |
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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