6-(3-Methoxyphenyl)nicotinic Acid - CAS 887976-16-1
Catalog: |
BB039232 |
Product Name: |
6-(3-Methoxyphenyl)nicotinic Acid |
CAS: |
887976-16-1 |
Synonyms: |
6-(3-methoxyphenyl)-3-pyridinecarboxylic acid; 6-(3-methoxyphenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(3-methoxyphenyl)pyridine-3-carboxylic acid |
Description: | 6-(3-Methoxyphenyl)nicotinic Acid (CAS# 887976-16-1) is a useful research chemical. |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=NC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C13H11NO3/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14-12)13(15)16/h2-8H,1H3,(H,15,16) |
InChI Key: | IMCPEUZGVSCIJS-UHFFFAOYSA-N |
MDL: | MFCD06410401 |
LogP: | 2.45540 |
Publication Number | Title | Priority Date |
AU-2006268183-A1 | Glutamate aggrecanase inhibitors | 20050711 |
AU-2006268183-B2 | Glutamate aggrecanase inhibitors | 20050711 |
BR-PI0613030-A2 | compound of formula i; compound or pharmaceutically acceptable salt of the compound; Method for modulating metalloproteinase activity in animals in need thereof; composition; Method for treating a metalloproteinase-related disorder in an animal in need thereof; Method of synthesizing a compound; compound of formula ii | 20050711 |
CA-2614930-A1 | Glutamate aggrecanase inhibitors | 20050711 |
EP-1902014-A2 | Glutamate aggrecanase inhibitors | 20050711 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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