5-(3-Nitrophenyl)nicotinic Acid - CAS 898907-67-0
Catalog: |
BB039674 |
Product Name: |
5-(3-Nitrophenyl)nicotinic Acid |
CAS: |
898907-67-0 |
Synonyms: |
5-(3-nitrophenyl)-3-pyridinecarboxylic acid; 5-(3-nitrophenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 5-(3-nitrophenyl)pyridine-3-carboxylic acid |
Description: | 5-(3-Nitrophenyl)nicotinic Acid (CAS# 898907-67-0 ) is a useful research chemical. |
Molecular Weight: | 244.20 |
Molecular Formula: | C12H8N2O4 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CN=C2)C(=O)O |
InChI: | InChI=1S/C12H8N2O4/c15-12(16)10-4-9(6-13-7-10)8-2-1-3-11(5-8)14(17)18/h1-7H,(H,15,16) |
InChI Key: | SCCBPJUNKJQITD-UHFFFAOYSA-N |
LogP: | 2.87820 |
Publication Number | Title | Priority Date |
TW-200815356-A | Substituted Cyanopyridines as protein kinase inhibitors | 20060613 |
ES-2245107-T3 | THERAPEUTIC BIARILE DERIVATIVES. | 19980613 |
IE-64053-B1 | Diaryl compounds and their use | 19880219 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.04840674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 96 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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