1,3-Dimethyl 2-(3-amino-5-bromopyridin-2-yl)propanedioate - CAS 1373233-26-1
Catalog: |
BB055819 |
Product Name: |
1,3-Dimethyl 2-(3-amino-5-bromopyridin-2-yl)propanedioate |
CAS: |
1373233-26-1 |
Synonyms: |
1,3-Dimethyl 2-(3-amino-5-bromopyridin-2-yl)propanedioate; dimethyl 2-(3-amino-5-bromopyridin-2-yl)propanedioate; 1,3-Dimethyl2-(3-amino-5-bromopyridin-2-yl)propanedioate; Propanedioic acid, 2-(3-amino-5-bromo-2-pyridinyl)-, 1,3-dimethyl ester |
IUPAC Name: | dimethyl 2-(3-amino-5-bromopyridin-2-yl)propanedioate |
Description: | 1,3-Dimethyl 2-(3-amino-5-bromopyridin-2-yl)propanedioate |
Molecular Weight: | 303.11 |
Molecular Formula: | C10H11BrN2O4 |
Canonical SMILES: | COC(=O)C(C1=C(C=C(C=N1)Br)N)C(=O)OC |
InChI: | InChI=1S/C10H11BrN2O4/c1-16-9(14)7(10(15)17-2)8-6(12)3-5(11)4-13-8/h3-4,7H,12H2,1-2H3 |
InChI Key: | LVFQQMATWBJGSI-UHFFFAOYSA-N |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.99022 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.99022 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 91.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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