5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile - CAS 1240948-77-9
Catalog: |
BB005813 |
Product Name: |
5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile |
CAS: |
1240948-77-9 |
Synonyms: |
1H-Pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-; Vonoprazan Impurity 04 |
IUPAC Name: | 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile |
Description: | One of the impurities of Vonoprazan, which is a potassium-competitive acid blocker and has been found to be effective in the treatment of gastroduodenal ulcer and reflux esophagitis. |
Molecular Weight: | 186.18 |
Molecular Formula: | C11H7FN2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC(=CN2)C#N)F |
InChI: | InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H |
InChI Key: | ZDEFHFJZEDEKJO-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.69248 |
Publication Number | Title | Priority Date |
CN-112194607-A | Synthetic method of 5- (2-fluorophenyl) -1H-pyrrole-3-formaldehyde | 20200827 |
CN-113511995-A | Preparation method of 5- (2-fluorophenyl) -1H-pyrrole-3-formaldehyde | 20200410 |
CN-110028436-A | A kind of preparation method of Wo Nuolazan key intermediate | 20190605 |
CN-110028436-B | Preparation method of Vonoprazan key intermediate | 20190605 |
CN-108503621-B | Preparation method of vonoprazan fumarate | 20171225 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.05932639 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.05932639 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 39.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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