5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine - CAS 1036027-54-9
Catalog: |
BB001182 |
Product Name: |
5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine |
CAS: |
1036027-54-9 |
Synonyms: |
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
IUPAC Name: | 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
Description: | 5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine (CAS# 1036027-54-9) is a useful research chemical. |
Molecular Weight: | 186.13 |
Molecular Formula: | C8H5F3N2 |
Canonical SMILES: | C1=CNC2=NC=C(C=C21)C(F)(F)F |
InChI: | InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6/h1-4H,(H,12,13) |
InChI Key: | KHAGHXUTEFDDOD-UHFFFAOYSA-N |
Boiling Point: | 270.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.447 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.58170 |
Publication Number | Title | Priority Date |
US-10961238-B2 | Modulators of hedgehog (Hh) signaling pathway | 20161026 |
WO-2017133667-A1 | Pyrimidine and pyridine derivatives and use in treatment, amelioration or prevention of influenza thereof | 20160205 |
US-2017050980-A1 | Oxadiazine compounds and methods of use thereof | 20150818 |
WO-2017031325-A1 | Oxadiazine compounds and methods of use thereof | 20150818 |
US-2017029406-A1 | Therapeutic inhibitory compounds | 20150701 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04048265 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04048265 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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