6-Bromo-5-iodo-3-pyridinecarboxylic Acid - CAS 65799-80-6
Catalog: |
BB070831 |
Product Name: |
6-Bromo-5-iodo-3-pyridinecarboxylic Acid |
CAS: |
65799-80-6 |
Synonyms: |
6-Bromo-5-iodonicotinic acid; 6-BROMO-5-IODOPYRIDINE-3-CARBOXYLIC ACID; 6-Bromo-5-iodonicotinicacid |
IUPAC Name: | 6-bromo-5-iodopyridine-3-carboxylic acid |
Molecular Weight: | 327.9 |
Molecular Formula: | C6H3BrINO2 |
Canonical SMILES: | C1=C(C=NC(=C1I)Br)C(=O)O |
InChI: | InChI=1S/C6H3BrINO2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2H,(H,10,11) |
InChI Key: | OOQHQESGBJLMNW-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.83919 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.83919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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