3-Bromo-5-methylpyridine - CAS 3430-16-8
Catalog: |
BB022053 |
Product Name: |
3-Bromo-5-methylpyridine |
CAS: |
3430-16-8 |
Synonyms: |
3-bromo-5-methylpyridine |
IUPAC Name: | 3-bromo-5-methylpyridine |
Description: | 3-Bromo-5-methylpyridine (CAS# 3430-16-8) is an intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity. |
Molecular Weight: | 172.02 |
Molecular Formula: | C6H6BrN |
Canonical SMILES: | CC1=CC(=CN=C1)Br |
InChI: | InChI=1S/C6H6BrN/c1-5-2-6(7)4-8-3-5/h2-4H,1H3 |
InChI Key: | ADCLTLQMVAEBLB-UHFFFAOYSA-N |
Boiling Point: | 197.4 ℃ at 760 mmHg |
Density: | 1.4869 g/cm3 |
MDL: | MFCD01646141 |
LogP: | 2.15250 |
GHS Hazard Statement: | H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
EP-3782997-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2021028512-A1 | Arylsulfonamide derivatives as mglur4 negative allosteric modulators | 20190815 |
WO-2020189540-A1 | Method for preparing aromatic amino acid derivative | 20190315 |
WO-2020027304-A1 | Novel carotenoid-related derivatives, and salts, esters, or amides thereof | 20180801 |
Complexity: | 74.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Pyridines
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