2,6-Diphenylisonicotinic acid - CAS 38947-57-8
Catalog: |
BB023806 |
Product Name: |
2,6-Diphenylisonicotinic acid |
CAS: |
38947-57-8 |
Synonyms: |
2,6-diphenylpyridine-4-carboxylic acid |
IUPAC Name: | 2,6-diphenylpyridine-4-carboxylic acid |
Description: | 2,6-Diphenylisonicotinic acid (CAS# 38947-57-8) is a useful research chemical. |
Molecular Weight: | 275.30 |
Molecular Formula: | C18H13NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=CC=C3)C(=O)O |
InChI: | InChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21) |
InChI Key: | PWKUURSWFJBXGO-UHFFFAOYSA-N |
Boiling Point: | 548.6 °C at 760 mmHg |
Density: | 1.219 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00418438 |
LogP: | 4.11380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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US-2021115038-A1 | Malic enzyme inhibitors | 20191017 |
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PMID | Publication Date | Title | Journal |
11781489 | 20020101 | 2,6-diphenylpyridine-4-carboxylic acid | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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