3-Methyl-1H-indazole-6-boronic Acid - CAS 1245816-26-5
Catalog: |
BB005921 |
Product Name: |
3-Methyl-1H-indazole-6-boronic Acid |
CAS: |
1245816-26-5 |
Synonyms: |
(3-methyl-2H-indazol-6-yl)boronic acid; (3-methyl-2H-indazol-6-yl)boronic acid |
IUPAC Name: | (3-methyl-2H-indazol-6-yl)boronic acid |
Description: | 3-Methyl-1H-indazole-6-boronic Acid (CAS# 1245816-26-5) is a useful research chemical. |
Molecular Weight: | 175.98 |
Molecular Formula: | C8H9N2O2B |
Canonical SMILES: | B(C1=CC2=NNC(=C2C=C1)C)(O)O |
InChI: | InChI=1S/C8H9BN2O2/c1-5-7-3-2-6(9(12)13)4-8(7)11-10-5/h2-4,12-13H,1H3,(H,10,11) |
InChI Key: | BILMNHWUQJFDED-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11044596 |
LogP: | -0.44890 |
Publication Number | Title | Priority Date |
AU-2017296289-A1 | 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors | 20160712 |
EP-3484856-A1 | 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric shp2 inhibitors | 20160712 |
JP-2019527728-A | 2,5-disubstituted 3-methylpyrazine and 2,5,6-trisubstituted 3-methylpyrazine as allosteric SHP2 inhibitors | 20160712 |
KR-20190026893-A | 2,5-disubstituted 3-methylpyrazine as an alternate-steric SHP2 inhibitor and 2,5,6-substituted 3-methylpyrazine | 20160712 |
TW-201808931-A | 2,5-disubstituted 3-methylpyrazine and 2,5,6-trisubstituted 3-methylpyrazine as ectopic SHP2 inhibitors | 20160712 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0757077 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0757077 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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