6-tert-Butylnicotinic Acid - CAS 832715-99-8
Catalog: |
BB037005 |
Product Name: |
6-tert-Butylnicotinic Acid |
CAS: |
832715-99-8 |
Synonyms: |
6-tert-butyl-3-pyridinecarboxylic acid; 6-tert-butylpyridine-3-carboxylic acid |
IUPAC Name: | 6-tert-butylpyridine-3-carboxylic acid |
Description: | 6-tert-Butylnicotinic Acid (CAS# 832715-99-8) is a useful research chemical. |
Molecular Weight: | 179.22 |
Molecular Formula: | C10H13NO2 |
Canonical SMILES: | CC(C)(C)C1=NC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C10H13NO2/c1-10(2,3)8-5-4-7(6-11-8)9(12)13/h4-6H,1-3H3,(H,12,13) |
InChI Key: | CVGXKEVUQXTBGM-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.07730 |
Publication Number | Title | Priority Date |
US-2020399271-A1 | Xanthine analogs as potent anti-west nile viral agents | 20190620 |
JP-2021524842-A | Tetrahydro-imidazole [4,5-C] pyridine derivative as PD-L1 immunomodulator | 20180511 |
US-2020039989-A1 | Small molecule inhibitors of dyrk/clk and uses thereof | 20180301 |
JP-2021506893-A | Diaryl Substituted 6,5-Fused Ring Compound as C5aR Inhibitor | 20171222 |
JP-2021501768-A | A novel highly active pyrazolo-piperidin-substituted indole-2-carboxamide that is active against hepatitis B virus (HBV) | 20171102 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Pyridines
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