5-(4-Methylphenyl)pyridine-3-carboxylic Acid - CAS 893737-23-0
Catalog: |
BB039455 |
Product Name: |
5-(4-Methylphenyl)pyridine-3-carboxylic Acid |
CAS: |
893737-23-0 |
Synonyms: |
5-(4-methylphenyl)-3-pyridinecarboxylic acid; 5-(4-methylphenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 5-(4-methylphenyl)pyridine-3-carboxylic acid |
Description: | 5-(4-Methylphenyl)pyridine-3-carboxylic Acid (CAS# 893737-23-0) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C13H11NO2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)O |
InChI: | InChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)11-6-12(13(15)16)8-14-7-11/h2-8H,1H3,(H,15,16) |
InChI Key: | VMJRUHLJFKPQHV-UHFFFAOYSA-N |
LogP: | 2.75520 |
Publication Number | Title | Priority Date |
CA-2464981-A1 | Quinoline compound | 20011025 |
CZ-2004634-A3 | The quinoline compound is a method of manufacture and use, and a pharmaceutical composition | 20011025 |
EP-1447402-A1 | Quinoline compound | 20011025 |
HU-0700124-A2 | Quinoline compound | 20011025 |
JP-2004059567-A | Quinoline compounds | 20011025 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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