3-Bromo-4-methyl-5-nitropyridine - CAS 69872-15-7
Catalog: |
BB033997 |
Product Name: |
3-Bromo-4-methyl-5-nitropyridine |
CAS: |
69872-15-7 |
Synonyms: |
3-bromo-4-methyl-5-nitropyridine; 3-bromo-4-methyl-5-nitropyridine |
IUPAC Name: | 3-bromo-4-methyl-5-nitropyridine |
Description: | 3-Bromo-4-methyl-5-nitropyridine (CAS# 69872-15-7) is an intermediate used in the synthesis of 4-bromo-6-azaindole and other azaindole derivatives. |
Molecular Weight: | 217.02 |
Molecular Formula: | C6H5BrN2O2 |
Canonical SMILES: | CC1=C(C=NC=C1[N+](=O)[O-])Br |
InChI: | InChI=1S/C6H5BrN2O2/c1-4-5(7)2-8-3-6(4)9(10)11/h2-3H,1H3 |
InChI Key: | WFCIQRPATFRBOY-UHFFFAOYSA-N |
Boiling Point: | 269 ℃ |
Density: | 1.709 g/cm3 |
MDL: | MFCD11847767 |
LogP: | 2.58390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021004547-A1 | Heterocyclic compounds as inhibitors of hpk1 | 20190711 |
WO-2020131629-A1 | Bicyclic derivatives | 20181218 |
CN-113474044-A | Bicyclic derivatives | 20181218 |
EP-3897843-A1 | Bicyclic derivatives | 20181218 |
KR-20210106502-A | Bicyclic derivatives | 20181218 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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