Methyl 5-Bromo-6-iodonicotinate - CAS 1174028-21-7
Catalog: |
BB003935 |
Product Name: |
Methyl 5-Bromo-6-iodonicotinate |
CAS: |
1174028-21-7 |
Synonyms: |
5-bromo-6-iodo-3-pyridinecarboxylic acid methyl ester; methyl 5-bromo-6-iodopyridine-3-carboxylate |
IUPAC Name: | methyl 5-bromo-6-iodopyridine-3-carboxylate |
Description: | Methyl 5-Bromo-6-iodonicotinate (CAS# 1174028-21-7 ) is a useful research chemical. |
Molecular Weight: | 341.93 |
Molecular Formula: | C7H5BrINO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(N=C1)I)Br |
InChI: | InChI=1S/C7H5BrINO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3 |
InChI Key: | WNPDQEDHQZXSOT-UHFFFAOYSA-N |
LogP: | 2.23530 |
Publication Number | Title | Priority Date |
TW-202003466-A | ANTAGONISTS OF HUMAN INTEGRIN α4β7 | 20180412 |
US-2019315692-A1 | Antagonists of human integrin (alpha4)(beta7) | 20180412 |
WO-2019200202-A1 | Antagonists of human integrin (alpha4)(beta7) | 20180412 |
US-10759756-B2 | Antagonists of human integrin α4β7 | 20180412 |
US-2020385352-A1 | Antagonists of human integrin (alpha4)(beta7) | 20180412 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 340.85484 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.85484 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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