| CAS Number | 1234615-80-5 |
| Catalog Number | AG000KLR(AGN-PC-0WBS7D) |
| Chemical Name | 2-Pyridineacetic acid, 5-iodo-, ethyl ester |
| IUPAC Name | ethyl 2-(5-iodopyridin-2-yl)acetate |
| InChI | InChI=1S/C9H10INO2/c1-2-13-9(12)5-8-4-3-7(10)6-11-8/h3-4,6H,2,5H2,1H3 |
| InChI Key | BUIDYAAUCLLTAO-UHFFFAOYSA-N |
| MDL Number | MFCD23105807 |
| Molecular Formula | C9H10INO2 |
| Molecular Weight | 291.0857 |
| SMILES | CCOC(=O)Cc1ccc(I)cn1 |
| Synonyms | ethyl 2-(5-iodopyridin-2-yl)acetate,
1234615-80-5,
Methyl 5-iodopyridine-2-acetate,
KS-000003TX,
Ethyl 2-(5-iodo-2-pyridyl)acetate,
MFCD23105807,
ZINC95743296,
AKOS025396113,
PB37907,
SB10575,
AK173685,
AS-51752,
CS-0049528,
2-Pyridineacetic acid, 5-iodo-, ethyl ester,
Q-2179,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.088g/mol |
| Monoisotopic Mass | 290.976g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number