3-Chloro-4-methylpyridine - CAS 72093-04-0
Catalog: |
BB034535 |
Product Name: |
3-Chloro-4-methylpyridine |
CAS: |
72093-04-0 |
Synonyms: |
3-chloro-4-methylpyridine |
IUPAC Name: | 3-chloro-4-methylpyridine |
Description: | 3-Chloro-4-methylpyridine (CAS# 72093-04-0) is a versatile building block for the synthesis of more complex pharmaceutical and biologically active compounds. |
Molecular Weight: | 127.57 |
Molecular Formula: | C6H6ClN |
Canonical SMILES: | CC1=C(C=NC=C1)Cl |
InChI: | InChI=1S/C6H6ClN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3 |
InChI Key: | VLNXNJMHLZFECV-UHFFFAOYSA-N |
Boiling Point: | 175.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.159 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD04114245 |
LogP: | 2.04340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021097039-A1 | Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof | 20191115 |
WO-2021043077-A1 | Substituted pyrazine compound and preparation method therefor and use thereof | 20190906 |
WO-2021032148-A1 | Aminopyrazine compounds as hpk1 inhibitor and the use thereof | 20190821 |
EP-3772513-A1 | Shp2 inhibitors | 20190809 |
WO-2021028362-A1 | Shp2 inhibitors | 20190809 |
Complexity: | 74.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.0188769 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.0188769 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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