Methyl 6-Bromo-5-methylnicotinate - CAS 1210451-92-5
Catalog: |
BB005026 |
Product Name: |
Methyl 6-Bromo-5-methylnicotinate |
CAS: |
1210451-92-5 |
Synonyms: |
6-bromo-5-methyl-3-pyridinecarboxylic acid methyl ester; methyl 6-bromo-5-methylpyridine-3-carboxylate |
IUPAC Name: | methyl 6-bromo-5-methylpyridine-3-carboxylate |
Description: | Methyl 6-Bromo-5-methylnicotinate (CAS# 1210451-92-5 ) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CC1=C(N=CC(=C1)C(=O)OC)Br |
InChI: | InChI=1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4H,1-2H3 |
InChI Key: | PZHHVEKWOYHXMK-UHFFFAOYSA-N |
LogP: | 1.93910 |
Publication Number | Title | Priority Date |
WO-2021108974-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
WO-2021109712-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
WO-2021109713-A1 | Use and pharmaceutical composition of phenylisoxazolyl methylene-naphthalene-ether derivatives | 20191203 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
WO-2020247160-A1 | Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators | 20190514 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
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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