2-chloro-4,6-dimethylnicotinic acid - CAS 66662-48-4
Catalog: |
BB033075 |
Product Name: |
2-chloro-4,6-dimethylnicotinic acid |
CAS: |
66662-48-4 |
Synonyms: |
2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid; 2-chloro-4,6-dimethylpyridine-3-carboxylic acid |
IUPAC Name: | 2-chloro-4,6-dimethylpyridine-3-carboxylic acid |
Description: | 2-chloro-4,6-dimethylnicotinic acid (CAS# 66662-48-4) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=CC(=NC(=C1C(=O)O)Cl)C |
InChI: | InChI=1S/C8H8ClNO2/c1-4-3-5(2)10-7(9)6(4)8(11)12/h3H,1-2H3,(H,11,12) |
InChI Key: | CXNWZXGXVPYAST-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.328 g/cm3 |
LogP: | 2.05000 |
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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020236692-A1 | Pyridinone derivatives as selective cytotoxic agents against hiv infected cells | 20190522 |
EP-2988747-A1 | 2-hydroxymethyl-substituted orexin receptor antagonists | 20130423 |
US-2016102073-A1 | 2-hydroxymethyl-substituted orexin receptor antagonists | 20130423 |
WO-2014176144-A1 | 2-hydroxymethyl-substituted orexin receptor antagonists | 20130423 |
TW-201127839-A | Fused heteroaromatic pyrrolidinones | 20091223 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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