2-(Difluoromethyl)-5-nitropyridine - CAS 1646152-46-6
Catalog: |
BB012122 |
Product Name: |
2-(Difluoromethyl)-5-nitropyridine |
CAS: |
1646152-46-6 |
Synonyms: |
2-(difluoromethyl)-5-nitropyridine; 2-(difluoromethyl)-5-nitropyridine |
IUPAC Name: | 2-(difluoromethyl)-5-nitropyridine |
Description: | 2-(Difluoromethyl)-5-nitropyridine (CAS# 1646152-46-6) is a useful research chemical. |
Molecular Weight: | 174.10 |
Molecular Formula: | C6H4F2N2O2 |
Canonical SMILES: | C1=CC(=NC=C1[N+](=O)[O-])C(F)F |
InChI: | InChI=1S/C6H4F2N2O2/c7-6(8)5-2-1-4(3-9-5)10(11)12/h1-3,6H |
InChI Key: | QBVBANWRADHVHP-UHFFFAOYSA-N |
LogP: | 2.45060 |
Publication Number | Title | Priority Date |
WO-2020102574-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
CN-113227055-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181116 |
EP-3880658-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
CN-107835814-A | Azabenzimidazoles and its purposes as ampa receptor conditioning agent | 20150429 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0240837 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0240837 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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