2-Methoxy-3-methyl-5-nitropyridine - CAS 89694-10-0
Catalog: |
BB039568 |
Product Name: |
2-Methoxy-3-methyl-5-nitropyridine |
CAS: |
89694-10-0 |
Synonyms: |
2-methoxy-3-methyl-5-nitropyridine; 2-methoxy-3-methyl-5-nitropyridine |
IUPAC Name: | 2-methoxy-3-methyl-5-nitropyridine |
Description: | 2-Methoxy-3-methyl-5-nitropyridine (CAS# 89694-10-0) is used in the preparation of heteroaromatic cyanoindoline derivative for use as NIK inhibitors. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | CC1=CC(=CN=C1OC)[N+](=O)[O-] |
InChI: | InChI=1S/C7H8N2O3/c1-5-3-6(9(10)11)4-8-7(5)12-2/h3-4H,1-2H3 |
InChI Key: | HEDKXDCXKNQWEX-UHFFFAOYSA-N |
Boiling Point: | 279.7 °C at 760 mmHg |
Density: | 1.247 g/cm3 |
Appearance: | White needles |
LogP: | 1.83000 |
Publication Number | Title | Priority Date |
TW-201945355-A | Condensed cyclic urea derivatives as CRHR2 antagonists | 20180409 |
WO-2019198692-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
CN-111868037-A | Fused cyclic urea derivatives as CRHR2 antagonists | 20180409 |
KR-20200135834-A | Condensed cyclic urea derivatives as CRHR2 antagonists | 20180409 |
BR-112020020708-A2 | CYCLIC UREA FUSED DERIVATIVES AS CRHR2 ANTAGONIST | 20180409 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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