3-Bromo-1-(3-chloro-2-pyridyl)pyrazole-5-carboxylic Acid - CAS 500011-86-9
Catalog: |
BB026881 |
Product Name: |
3-Bromo-1-(3-chloro-2-pyridyl)pyrazole-5-carboxylic Acid |
CAS: |
500011-86-9 |
Synonyms: |
5-bromo-2-(3-chloro-2-pyridinyl)-3-pyrazolecarboxylic acid; 5-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylic acid |
IUPAC Name: | 5-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylic acid |
Description: | 3-Bromo-1-(3-chloro-2-pyridyl)pyrazole-5-carboxylic Acid (CAS# 500011-86-9) is a useful building block and has been used in the synthesis of the pesticide Cyclaniliprole. |
Molecular Weight: | 302.51 |
Molecular Formula: | C9H5BrClN3O2 |
Canonical SMILES: | C1=CC(=C(N=C1)N2C(=CC(=N2)Br)C(=O)O)Cl |
InChI: | InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16) |
InChI Key: | FORBXGROTPOMEH-UHFFFAOYSA-N |
MDL: | MFCD08689880 |
LogP: | 2.38140 |
Publication Number | Title | Priority Date |
CN-113480518-A | Method for synthesizing chlorantraniliprole | 20210708 |
CN-113248470-A | Preparation method of 3-bromo-1- (3-chloro-2-pyridyl) -1H-pyrazole-5-formic acid | 20210607 |
CN-112574190-A | Method for synthesizing chlorantraniliprole | 20201221 |
CN-112552284-A | Preparation method of chlorantraniliprole | 20201218 |
CN-112694438-A | Improved process of 2-hydrazino-3-chloropyridine | 20201211 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.92537 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.92537 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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