6-Methylpyridine-2-boronic Acid - CAS 372963-50-3
Catalog: |
BB023250 |
Product Name: |
6-Methylpyridine-2-boronic Acid |
CAS: |
372963-50-3 |
Synonyms: |
(6-methyl-2-pyridinyl)boronic acid; (6-methylpyridin-2-yl)boronic acid |
IUPAC Name: | (6-methylpyridin-2-yl)boronic acid |
Description: | 6-Methylpyridine-2-boronic Acid (CAS# 372963-50-3) is a useful research chemical. |
Molecular Weight: | 136.94 |
Molecular Formula: | C6H8NO2B |
Canonical SMILES: | B(C1=NC(=CC=C1)C)(O)O |
InChI: | InChI=1S/C6H8BNO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4,9-10H,1H3 |
InChI Key: | XHSGIZRXEBIOFC-UHFFFAOYSA-N |
Boiling Point: | 311.2 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
LogP: | -0.93020 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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-2021057256-A1 | Heterocyclic nitrogen compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 20190929 |
CN-112119065-A | Benzodiazacyclo compound, preparation method and application thereof | 20180713 |
US-2020031834-A1 | Therapeutic heterocyclic compounds | 20180706 |
WO-2020010223-A1 | Therapeutic heterocyclic compounds | 20180706 |
AU-2019297428-A1 | Therapeutic heterocyclic compounds | 20180706 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.0648087 |
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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