5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid - CAS 1228666-41-8
Catalog: |
BB005574 |
Product Name: |
5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
CAS: |
1228666-41-8 |
Synonyms: |
5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
IUPAC Name: | 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
Description: | 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid (CAS# 1228666-41-8) is a useful research chemical. |
Molecular Weight: | 180.14 |
Molecular Formula: | C8H5FN2O2 |
Canonical SMILES: | C1=CNC2=NC=C(C(=C21)C(=O)O)F |
InChI: | InChI=1S/C8H5FN2O2/c9-5-3-11-7-4(1-2-10-7)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | VMFMXSACNCIANC-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD16628251 |
LogP: | 1.40020 |
Publication Number | Title | Priority Date |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.03350557 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.03350557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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