2-Isopropoxynicotinaldehyde - CAS 885278-10-4
Catalog: |
BB038940 |
Product Name: |
2-Isopropoxynicotinaldehyde |
CAS: |
885278-10-4 |
Synonyms: |
2-propan-2-yloxy-3-pyridinecarboxaldehyde; 2-propan-2-yloxypyridine-3-carbaldehyde |
IUPAC Name: | 2-propan-2-yloxypyridine-3-carbaldehyde |
Description: | 2-Isopropoxynicotinaldehyde (CAS# 885278-10-4) is a useful research chemical. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | CC(C)OC1=C(C=CC=N1)C=O |
InChI: | InChI=1S/C9H11NO2/c1-7(2)12-9-8(6-11)4-3-5-10-9/h3-7H,1-2H3 |
InChI Key: | GNTQOKGIVMJHQG-UHFFFAOYSA-N |
Boiling Point: | 259.3 °C at 760 mmHg |
Density: | 1.088 g/cm3 |
MDL: | MFCD06804560 |
LogP: | 1.68130 |
Publication Number | Title | Priority Date |
BR-112019007038-A2 | substituted pyrrolidines as cftr modulators | 20161007 |
CA-3039647-A1 | Substituted pyrrolidines as cftr modulators | 20161007 |
CA-3039659-A1 | Substituted pyrrolidines and their use in the treatment of cystic fiibrosis | 20161007 |
EP-3523277-A1 | Substituted pyrrolidines as cftr modulators | 20161007 |
EP-3523293-A1 | Substituted pyrrolidines and their use in the treatment of cystic fiibrosis | 20161007 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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