| CAS Number | 1335220-59-1 |
| Catalog Number | AG00IZRG(AGN-PC-0WB0NM) |
| Chemical Name | 6-Chloro-2-(piperidin-1-yl)-1,8-naphthyridine-3-carbonitrile |
| IUPAC Name | 6-chloro-2-piperidin-1-yl-1,8-naphthyridine-3-carbonitrile |
| InChI | InChI=1S/C14H13ClN4/c15-12-7-10-6-11(8-16)14(18-13(10)17-9-12)19-4-2-1-3-5-19/h6-7,9H,1-5H2 |
| InChI Key | XAXJTISLOQAGJI-UHFFFAOYSA-N |
| MDL Number | MFCD20232923 |
| Molecular Formula | C14H13ClN4 |
| Molecular Weight | 272.7328 |
| SMILES | ClC2(=CN=C3(N=C(N1(CCCCC1))C(=CC3(=C2))C#N)) |
| Synonyms | 6-chloro-2-(piperidin-1-yl)-1,8-naphthyridine-3-carbonitrile,
1335220-59-1,
KS-00001Q8A,
ZX-RL003464,
MFCD20232923,
ZINC71788991,
AKOS015991491,
KF-0705,
MCULE-6082441987,
RP15207,
chloropiperidinylnaphthyridinecarbonitrile,
OR310210,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.736g/mol |
| Monoisotopic Mass | 272.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number