2-Phenylnicotinic Acid - CAS 33421-39-5
Catalog: |
BB021706 |
Product Name: |
2-Phenylnicotinic Acid |
CAS: |
33421-39-5 |
Synonyms: |
2-phenyl-3-pyridinecarboxylic acid; 2-phenylpyridine-3-carboxylic acid |
IUPAC Name: | 2-phenylpyridine-3-carboxylic acid |
Description: | 2-Phenylnicotinic Acid (CAS# 33421-39-5) is a useful research chemical. |
Molecular Weight: | 199.21 |
Molecular Formula: | C12H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O |
InChI: | InChI=1S/C12H9NO2/c14-12(15)10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H,(H,14,15) |
InChI Key: | VLQVAEFYIADOKI-UHFFFAOYSA-N |
Boiling Point: | 357.3 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD03069417 |
LogP: | 2.44680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188907-A1 | Pyridinesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2021051231-A1 | Photo-responsive coordination compounds with photo-controllable electron-transporting and electrical conducting properties, and fabrication of organic electronics and organic resistive memory devices with photo-switchable performance | 20190916 |
JP-2020109086-A | Pharmaceutical composition | 20181228 |
JP-2021102653-A | Pharmaceutical composition | 20181228 |
JP-6868089-B2 | Medicine | 20181228 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS