6-Chloro-5-methylpyridine-3-boronic Acid - CAS 1003043-40-0
Catalog: |
BB000162 |
Product Name: |
6-Chloro-5-methylpyridine-3-boronic Acid |
CAS: |
1003043-40-0 |
Synonyms: |
(6-chloro-5-methyl-3-pyridinyl)boronic acid; (6-chloro-5-methylpyridin-3-yl)boronic acid |
IUPAC Name: | (6-chloro-5-methylpyridin-3-yl)boronic acid |
Description: | 6-Chloro-5-methylpyridine-3-boronic Acid (CAS# 1003043-40-0) is a useful research chemical. |
Molecular Weight: | 171.39 |
Molecular Formula: | C6H7ClNO2B |
Canonical SMILES: | B(C1=CC(=C(N=C1)Cl)C)(O)O |
InChI: | InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3 |
InChI Key: | WWOOKOBRTKSRLV-UHFFFAOYSA-N |
Boiling Point: | 358.744 °C at 760 mmHg |
Density: | 1.347 g/cm3 |
Appearance: | Powder |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD03411564 |
LogP: | -0.27680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020147039-A1 | Compounds useful in inhibiting human trefoil factor 3 | 20170605 |
US-2020131139-A1 | Small molecule inhibitors of bcl-2- associated death promoter (bad) phosphorylation | 20170419 |
AU-2017260125-A1 | Aromatic sulfonamide derivatives | 20160503 |
AU-2017260125-A9 | Aromatic sulfonamide derivatives | 20160503 |
CA-3022793-A1 | Aromatic sulfonamide derivatives | 20160503 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0258363 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0258363 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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