| CAS Number | 680217-82-7 |
| Catalog Number | AG00FNTY(AGN-PC-0WR02A) |
| Chemical Name | 2,6-Dichloro-5-fluoro-N-(thien-2-ylmethyl)nicotinamide |
| IUPAC Name | 2,6-dichloro-5-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide |
| InChI | InChI=1S/C11H7Cl2FN2OS/c12-9-7(4-8(14)10(13)16-9)11(17)15-5-6-2-1-3-18-6/h1-4H,5H2,(H,15,17) |
| InChI Key | ZSKSDLXPIZNQKW-UHFFFAOYSA-N |
| MDL Number | MFCD01765455 |
| Molecular Formula | C11H7Cl2FN2OS |
| Molecular Weight | 305.1555 |
| SMILES | ClC2(=NC(Cl)=C(C(=O)NCC=1(SC=CC=1))C=C2F) |
| Synonyms | 2,6-Dichloro-5-fluoro-N-(thien-2-ylmethyl)nicotinamide,
680217-82-7,
2,6-Dichloro-5-fluoro-N-(thiophen-2-ylmethyl)nicotinamide,
2,6-dichloro-5-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide,
AC1MD1E5,
SCHEMBL14426780,
CTK7F6046,
ZINC166915,
KS-00003QZ8,
KM4318,
MFCD01765455,
AKOS025393465,
PS-7106,
2,6-dichloro-5-fluoro-N-[(thiophen-2-yl)methyl]pyridine-3-carboxamide,
ZINC00166915,
CID2782025,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.148g/mol |
| Monoisotopic Mass | 303.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number