Methyl 2-[(2Z)-5-amino-1H-pyridin-2-ylidene]-2-cyanoacetate - CAS 1373237-02-5
Catalog: |
BB076216 |
Product Name: |
Methyl 2-[(2Z)-5-amino-1H-pyridin-2-ylidene]-2-cyanoacetate |
CAS: |
1373237-02-5 |
Synonyms: |
METHYL 2-[(2Z)-5-AMINO-1H-PYRIDIN-2-YLIDENE]-2-CYANOACETATE; methyl (2Z)-2-(5-amino-1H-pyridin-2-ylidene)-2-cyanoacetate; METHYL2-[(2Z)-5-AMINO-1H-PYRIDIN-2-YLIDENE]-2-CYANOACETATE |
IUPAC Name: | methyl (2Z)-2-(5-amino-1H-pyridin-2-ylidene)-2-cyanoacetate |
Description: | Methyl 2-[(2Z)-5-amino-1H-pyridin-2-ylidene]-2-cyanoacetate |
Molecular Weight: | 191.18 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | COC(=O)C(=C1C=CC(=CN1)N)C#N |
InChI: | InChI=1S/C9H9N3O2/c1-14-9(13)7(4-10)8-3-2-6(11)5-12-8/h2-3,5,12H,11H2,1H3/b8-7- |
InChI Key: | FPOVKEKSIIZTOQ-FPLPWBNLSA-N |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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