Methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate - CAS 1330750-20-3
Catalog: |
BB076096 |
Product Name: |
Methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate |
CAS: |
1330750-20-3 |
Synonyms: |
Methyl 6-amino-3-(3-cyanophenyl)picolinate; Methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate; Methyl6-amino-3-(3-cyanophenyl)picolinate |
IUPAC Name: | methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate |
Description: | Methyl 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylate |
Molecular Weight: | 253.26 |
Molecular Formula: | C14H11N3O2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=N1)N)C2=CC=CC(=C2)C#N |
InChI: | InChI=1S/C14H11N3O2/c1-19-14(18)13-11(5-6-12(16)17-13)10-4-2-3-9(7-10)8-15/h2-7H,1H3,(H2,16,17) |
InChI Key: | ABJMOCXATICDBY-UHFFFAOYSA-N |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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