Methyl 7-Bromoindole-2-carboxylate - CAS 1158503-82-2
Catalog: |
BB003635 |
Product Name: |
Methyl 7-Bromoindole-2-carboxylate |
CAS: |
1158503-82-2 |
Synonyms: |
7-bromo-1H-indole-2-carboxylic acid methyl ester; methyl 7-bromo-1H-indole-2-carboxylate |
IUPAC Name: | methyl 7-bromo-1H-indole-2-carboxylate |
Description: | Methyl 7-Bromoindole-2-carboxylate (CAS# 1158503-82-2) is a reagent used in the preparation of novel 2-aminopyridines. |
Molecular Weight: | 254.08 |
Molecular Formula: | C10H8BrNO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(N1)C(=CC=C2)Br |
InChI: | InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,1H3 |
InChI Key: | CVBRWYSFWORSON-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11111832 |
LogP: | 2.71700 |
Publication Number | Title | Priority Date |
US-2017044133-A1 | Novel 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof | 20140424 |
US-9783522-B2 | 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof | 20140424 |
CA-2547212-A1 | Peroxisome proliferator activated receptor modulators | 20031125 |
EP-1697304-B1 | Peroxisome proliferator activated receptor modulators | 20031125 |
JP-2007514659-A | Peroxisome proliferator-activated receptor modulators | 20031125 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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