2-Bromo-3-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID: 11738823
Connections displayed (default: 10).
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| Compound Synonyms | AKOS015962566 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-bromo-3-(3,4,5-trimethoxyphenyl)pyridine |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C14H14BrNO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FLBYXYAXXCTQAW-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.285 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.978 |
| Compound Name | 2-Bromo-3-(3,4,5-trimethoxyphenyl)pyridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.016 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2078472210526305 |
| Inchi | InChI=1S/C14H14BrNO3/c1-17-11-7-9(8-12(18-2)13(11)19-3)10-5-4-6-16-14(10)15/h4-8H,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2=C(N=CC=C2)Br |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients