2-Methylpyridine-4-boronic Acid Pinacol Ester - CAS 660867-80-1
Catalog: |
BB032907 |
Product Name: |
2-Methylpyridine-4-boronic Acid Pinacol Ester |
CAS: |
660867-80-1 |
Synonyms: |
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Methylpyridine-4-boronic Acid Pinacol Ester (CAS# 660867-80-1) is a useful research chemical. |
Molecular Weight: | 219.09 |
Molecular Formula: | C12H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C |
InChI: | InChI=1S/C12H18BNO2/c1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3 |
InChI Key: | MBTULFIFECUURA-UHFFFAOYSA-N |
Boiling Point: | 315.9 °C at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.02 g/cm3 |
MDL: | MFCD08061590 |
LogP: | 1.68920 |
GHS Hazard Statement: | H302 (11.11%): 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 |
CN-111285859-A | 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof | 20200402 |
CN-111285859-B | 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof | 20200402 |
WO-2021116178-A1 | Pyrazolotriazines | 20191211 |
WO-2021071802-A1 | Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
WO-2021032992-A1 | Pharmaceutical compounds | 20190820 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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