3-Bromo-5-(4-methoxyphenyl)-2-pyridinamine - CAS 1381938-33-5
Catalog: |
BB072132 |
Product Name: |
3-Bromo-5-(4-methoxyphenyl)-2-pyridinamine |
CAS: |
1381938-33-5 |
Synonyms: |
3-Bromo-5-(4-methoxyphenyl)-2-pyridinamine; 3-Bromo-5-(4-methoxyphenyl)pyridin-2-amine; 2-Amino-3-bromo-5-(4-methoxyphenyl)pyridine |
IUPAC Name: | 3-bromo-5-(4-methoxyphenyl)pyridin-2-amine |
Description: | Used in the preparation of PhIP (A617000) metabolites and derivatives. |
Molecular Weight: | 279.13 |
Molecular Formula: | C12H11BrN2O |
Canonical SMILES: | COC1=CC=C(C=C1)C2=CC(=C(N=C2)N)Br |
InChI: | InChI=1S/C12H11BrN2O/c1-16-10-4-2-8(3-5-10)9-6-11(13)12(14)15-7-9/h2-7H,1H3,(H2,14,15) |
InChI Key: | IKAWHAIKDIFXHJ-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Brown Solid |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.00548 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.00548 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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