| CAS Number | 142499-40-9 |
| Catalog Number | AG00INGV(AGN-PC-0KKRY5) |
| Chemical Name | 6-(3-Methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile |
| IUPAC Name | 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H10N2O2/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14)13(16)15-12/h2-7H,1H3,(H,15,16) |
| InChI Key | XTPHTAULHCTSQU-UHFFFAOYSA-N |
| MDL Number | MFCD00215117 |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.2307 |
| SMILES | O=C2(NC(C1(=CC(OC)=CC=C1))=CC=C2C#N) |
| Synonyms | 142499-40-9,
6-(3-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile,
6-(3-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile,
6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile,
AC1MCDRI,
Oprea1_218626,
MLS000755473,
SCHEMBL9526447,
CHEMBL1541347,
KS-00001RQO,
HMS2617I09,
MFCD00215117,
ZINC13597527,
AKOS010916132,
MCULE-6046869182,
11H-316S,
SMR000337862,
ZINC03128365,
CID2767147,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.235g/mol |
| Monoisotopic Mass | 226.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number