6-(Chloromethyl)pyridine-2-carbonitrile - CAS 135450-23-6
Catalog: |
BB008176 |
Product Name: |
6-(Chloromethyl)pyridine-2-carbonitrile |
CAS: |
135450-23-6 |
Synonyms: |
6-(chloromethyl)-2-pyridinecarbonitrile; 6-(chloromethyl)pyridine-2-carbonitrile |
IUPAC Name: | 6-(chloromethyl)pyridine-2-carbonitrile |
Description: | 6-(Chloromethyl)pyridine-2-carbonitrile (CAS# 135450-23-6) is used in the preparation of thiazole derivatives as antiulcer and antimicrobial agents. |
Molecular Weight: | 152.58 |
Molecular Formula: | C7H5ClN2 |
Canonical SMILES: | C1=CC(=NC(=C1)CCl)C#N |
InChI: | InChI=1S/C7H5ClN2/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4H2 |
InChI Key: | NZOOXGNGNZWVQR-UHFFFAOYSA-N |
Boiling Point: | 280.766 °C at 760 mmHg |
Density: | 1.264 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.69208 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20190607 |
CN-112028870-A | Compound with benzyloxy aromatic ring structure, preparation method and application thereof | 20190604 |
WO-2020244518-A1 | Compound with benzyloxy aromatic ring structure, preparation method and use thereof | 20190604 |
WO-2020210597-A1 | Benzimidazole derivatives and their uses | 20190411 |
AU-2018379077-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20171207 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.0141259 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Pyridines
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