Methyl 4-Bromothieno[2,3-c]pyridine-2-carboxylate - CAS 145325-40-2
Catalog: |
BB009925 |
Product Name: |
Methyl 4-Bromothieno[2,3-c]pyridine-2-carboxylate |
CAS: |
145325-40-2 |
Synonyms: |
4-bromo-2-thieno[2,3-c]pyridinecarboxylic acid methyl ester; methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate |
IUPAC Name: | methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate |
Description: | Methyl 4-Bromothieno[2,3-c]pyridine-2-carboxylate (CAS# 145325-40-2) is a useful research chemical. |
Molecular Weight: | 272.12 |
Molecular Formula: | C9H6BrNO2S |
Canonical SMILES: | COC(=O)C1=CC2=C(C=NC=C2S1)Br |
InChI: | InChI=1S/C9H6BrNO2S/c1-13-9(12)7-2-5-6(10)3-11-4-8(5)14-7/h2-4H,1H3 |
InChI Key: | REZMNBYKKVGMCD-UHFFFAOYSA-N |
Boiling Point: | 372.7 °C at 760 mmHg |
Density: | 1.697 g/cm3 |
LogP: | 2.84540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
WO-2019106087-A1 | Ampk inhibitors | 20171129 |
AU-2017382185-A1 | Pyrazole derivatives as MALT1 inhibitors | 20161221 |
BR-112019012355-A2 | pyrazole derivatives as malt1 inhibitors | 20161221 |
EP-3558969-A1 | Pyrazole derivatives as malt1 inhibitors | 20161221 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.93026 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.93026 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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