5H,6H,7H-Cyclopenta[b]pyridine-7-carboxylic Acid Hydrochloride - CAS 1610919-99-7
Catalog: |
BB064209 |
Product Name: |
5H,6H,7H-Cyclopenta[b]pyridine-7-carboxylic Acid Hydrochloride |
CAS: |
1610919-99-7 |
Synonyms: |
6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylic acid hydrochloride; 5H,6H,7H-cyclopenta[b]pyridine-7-carboxylic acid hydrochloride; 6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylic acid; hydrochloride; 6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylicacidhydrochloride |
IUPAC Name: | 6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylic acidhydrochloride |
Description: | 5H,6H,7H-Cyclopenta[b]pyridine-7-carboxylic Acid Hydrochloride is useful for the preparation of thrombin inhibitors. |
Molecular Weight: | 199.63 |
Molecular Formula: | C9H9NO2·HCl |
Canonical SMILES: | C1CC2=C(C1C(=O)O)N=CC=C2.Cl |
InChI: | InChI=1S/C9H9NO2.ClH/c11-9(12)7-4-3-6-2-1-5-10-8(6)7/h1-2,5,7H,3-4H2,(H,11,12)1H |
InChI Key: | XFHDQRGFQZMFLO-UHFFFAOYSA-N |
References: | Chobanian, H., et al. PCT Int. Appl. (2014), WO 2014081618 A1. |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0400063 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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