5-(4-Chlorophenyl)nicotinic Acid - CAS 187999-33-3
Catalog: |
BB014479 |
Product Name: |
5-(4-Chlorophenyl)nicotinic Acid |
CAS: |
187999-33-3 |
Synonyms: |
5-(4-chlorophenyl)-3-pyridinecarboxylic acid; 5-(4-chlorophenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 5-(4-chlorophenyl)pyridine-3-carboxylic acid |
Description: | 5-(4-Chlorophenyl)nicotinic Acid (CAS# 187999-33-3) is a useful research chemical. |
Molecular Weight: | 233.65 |
Molecular Formula: | C12H8ClNO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)Cl |
InChI: | InChI=1S/C12H8ClNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16) |
InChI Key: | BYZIYNPOAGZGJW-UHFFFAOYSA-N |
LogP: | 3.10020 |
Publication Number | Title | Priority Date |
WO-2015034271-A1 | Novel antifungal pyridinylhydrazide derivatives | 20130904 |
CN-101641355-A | Azaadamantane ester and carbamate derivatives and using method thereof | 20070323 |
CN-103145711-A | Azaadamantane ester and carbamate derivatives and methods of use thereof | 20070323 |
EP-2129672-A1 | Azaadamantane ester and carbamate derivatives and methods of use thereof | 20070323 |
EP-2129672-B1 | Azaadamantane ester and carbamate derivatives and methods of use thereof | 20070323 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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