Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate - CAS 1414029-40-5
Catalog: |
BB059983 |
Product Name: |
Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate |
CAS: |
1414029-40-5 |
Synonyms: |
Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate; Methyl2-amino-5-(4-formylphenyl)pyridine-3-carboxylate; 3-Pyridinecarboxylic acid, 2-amino-5-(4-formylphenyl)-, methyl ester |
IUPAC Name: | methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate |
Description: | Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate |
Molecular Weight: | 256.26 |
Molecular Formula: | C14H12N2O3 |
Canonical SMILES: | COC(=O)C1=C(N=CC(=C1)C2=CC=C(C=C2)C=O)N |
InChI: | InChI=1S/C14H12N2O3/c1-19-14(18)12-6-11(7-16-13(12)15)10-4-2-9(8-17)3-5-10/h2-8H,1H3,(H2,15,16) |
InChI Key: | SPUZJSNKZVBSEY-UHFFFAOYSA-N |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.08479225 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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