| CAS Number | 1228666-11-2 |
| Catalog Number | AG00HH3O(AGN-PC-0WBQUU) |
| Chemical Name | 2-Methoxy-6-(pyrrolidin-1-yl)nicotinaldehyde |
| IUPAC Name | 2-methoxy-6-pyrrolidin-1-ylpyridine-3-carbaldehyde |
| InChI | InChI=1S/C11H14N2O2/c1-15-11-9(8-14)4-5-10(12-11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3 |
| InChI Key | DUXXVGOFEXESLC-UHFFFAOYSA-N |
| MDL Number | MFCD15530302 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.2411 |
| SMILES | COc1nc(ccc1C=O)N1CCCC1 |
| Synonyms | 2-Methoxy-6-(pyrrolidin-1-yl)nicotinaldehyde,
1228666-11-2,
AC1Q45BW,
CTK7B1996,
2633AD,
MFCD15530302,
ZINC39961344,
AKOS015851652,
TR-071306,
K-1745,
2-methoxy-6-(pyrrolidin-1-yl)pyridine-3-carbaldehyde,
2-Methoxy-6-(pyrrolidin-1-yl)nicotinaldehyde, AldrichCPR,
C11H14N2O2,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.245g/mol |
| Monoisotopic Mass | 206.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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