3-(Difluoromethoxy)-2-nitropyridine - CAS 1111637-77-4
Catalog: |
BB002726 |
Product Name: |
3-(Difluoromethoxy)-2-nitropyridine |
CAS: |
1111637-77-4 |
Synonyms: |
3-(difluoromethoxy)-2-nitropyridine; 3-(difluoromethoxy)-2-nitropyridine |
IUPAC Name: | 3-(difluoromethoxy)-2-nitropyridine |
Description: | 3-(Difluoromethoxy)-2-nitropyridine (CAS# 1111637-77-4 ) is a useful research chemical. |
Molecular Weight: | 190.10 |
Molecular Formula: | C6H4F2N2O3 |
Canonical SMILES: | C1=CC(=C(N=C1)[N+](=O)[O-])OC(F)F |
InChI: | InChI=1S/C6H4F2N2O3/c7-6(8)13-4-2-1-3-9-5(4)10(11)12/h1-3,6H |
InChI Key: | QIAOBDSINGSZRL-UHFFFAOYSA-N |
LogP: | 2.11440 |
Publication Number | Title | Priority Date |
CN-107406462-A | Three ring DLK inhibitor and application thereof | 20150309 |
EP-3268373-A1 | Tricyclic dlk inhibitors and uses thereof | 20150309 |
JP-2018512399-A | Tricyclic DLK inhibitors and uses thereof | 20150309 |
JP-6701225-B2 | Tricyclic DLK inhibitors and uses thereof | 20150309 |
US-10131675-B2 | Tricyclic DLK inhibitors and uses thereof | 20150309 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.01899832 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.01899832 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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