5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid - CAS 1260384-46-0
Catalog: |
BB006298 |
Product Name: |
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
CAS: |
1260384-46-0 |
Synonyms: |
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
IUPAC Name: | 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
Description: | 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid (CAS# 1260384-46-0) is a useful research chemical. |
Molecular Weight: | 230.14 |
Molecular Formula: | C9H5F3N2O2 |
Canonical SMILES: | C1=CNC2=NC=C(C(=C21)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C9H5F3N2O2/c10-9(11,12)5-3-14-7-4(1-2-13-7)6(5)8(15)16/h1-3H,(H,13,14)(H,15,16) |
InChI Key: | RQYFNIPEVRIQNX-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD18374139 |
LogP: | 2.27990 |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.03031189 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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